Benzyl chloroformate (neat) to cold storage

Activity Benzyl chloroformate by semi-batch phosgenation of benzyl alcohol at reduced pressure (1000 t/a, batch), GLO: the inventory of 1 kilogram of its reference product, attributional, cut-off.

Calculation maturity: not assessed Design maturity: Concept (research)Not independently reviewedbenzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCFPreliminaryReport a problem with this dataset

Research outputAn inventory from a research design at the design maturity its process states, not verified plant data: check its calculation maturity and review status before use. Background activities are referenced by name only; no background data is included. All caveats

What it is

Unallocated foreground LCI of Benzyl chloroformate by semi-batch phosgenation of benzyl alcohol (1000 t/a), case design, derived from the flowsheet by cheme assess lca.

Reference product: 1 kilogram of Benzyl chloroformate (neat) to cold storage (1.01325 bar(a), 5 degC, 99.0435 % BCF (mole))
Chemical: benzyl-chloroformate
CAS: 501-53-1
Code: benzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCF
Dataset: benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a version 0.1.0 · UUID 6eca8c13-13aa-51c5-b127-4eda34c53cb4
Activity UUID: not available (the library assigns none; use the code)
Database: cheme-as-code-atlas-preview-a3c52e4 (version preview-a3c52e4)
Process: Benzyl chloroformate by semi-batch phosgenation of benzyl alcohol at reduced pressure (1000 t/a, batch)
Geography: GLO · background inputs with a site rule link at the user's site location (default DE)
Time period: 2026 · valid until 2031
Technology: Batch plant: phosgene gas dosed over 10 h into neat benzyl alcohol at 278 K and 50 kPa(a) (semi-batch, 1.27 mol per mol), the HCl vented as it forms, the crude degassed at 20 kPa(a) in the same enamelled vessel and not distilled; the HCl and the excess phosgene destroyed in a caustic scrubber; 1770 kg per batch, 565 batches a year on a dedicated train · level current
Boundary: gate-to-gate foreground of the plant
Production volume: 1,000,256 kg/a (product:BCF per hour x operation.hours_per_year (7920 h/a))
Classification: ISIC Rev.4 2011 (taxonomy/families.yaml (ISIC Rev.4) of the process's families)
System model: attributional, cut-off (docs/system-model.md, methodology 1.1.0)
Allocation: mass, 100 % of the dataset to this product (rule single-output, from default)
one product: nothing to allocate
Rights: CC-BY-4.0: the ChemE-as-Code process library's own concept design (LICENSE-DATA)

Exchanges per 1 kilogram of Benzyl chloroformate (neat) to cold storage

As exported: allocated and scaled to the reference product. Provenance: 9 assumed, 1 calculated. Pedigree scores (1 best, 5 worst): reliability, completeness, temporal correlation, geographical correlation, further technological correlation.

Preliminary1 exchange is not yet linked to a background dataset. It counts no burden, so the inventory is incomplete: do not read a result from it as complete.

Input	Amount	Unit	Provenance	Pedigree	Linked to
Benzyl alcohol (merchant) feed:BNOH flowsheet stream S1 (D-004) From stream S1	0.6356	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Benzyl alcohol by continuous hydrolysis of benzyl chloride with soda solution (Benzyl alcohol, reagent grade (at least 99.8 wt%), GLO) compatible: grade the input names benzyl-alcohol only; benzyl-alcohol (Benzyl alcohol, reagent grade (at least 99.8 wt%)) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Liquid phosgene (phosgene-1) feed:PHOS flowsheet stream S3 (D-004) From stream S3	0.7384	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Phosgene from CO and chlorine over activated carbon (17.3 t/h liquid phosgene, captive) (Liquid phosgene to the captive consumer, GLO) compatible: grade the input names phosgene only; phosgene (Liquid phosgene to the captive consumer) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Caustic soda 50 wt% (chlor-alkali-1) feed:NAOH flowsheet stream S10 (D-007) From stream S10	1.086	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Chlor-alkali by membrane-cell electrolysis (100 kt/a Cl2, 50 wt-% caustic soda, hydrogen) (Sodium hydroxide, Caustic soda 50 wt-% to storage, GLO) compatible: grade the input names sodium-hydroxide only; sodium-hydroxide (Sodium hydroxide, Caustic soda 50 wt-% to storage) is taken; unit kilogram; system model cutoff (one database); allocation shares (deviation); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery
Process water (caustic dilution) feed:PW flowsheet stream S11 (D-007) From stream S11	4.343	kilogram	assumed	4 4 1 3 3	market for water, deionised (water, deionised, RoW) in your background (default ecoinvent-3.11-cutoff)
Electric power feed:POWER flowsheet energy streams P1 (R-101 agitator), P2 (vacuum pump) and P3 (scrubber pump), D-009 electricity From streams P1, P2, P3	0.05147	kilowatt hour	assumed	4 4 1 3 3	market for electricity, medium voltage (electricity, medium voltage, DE, site location) in your background (default ecoinvent-3.11-cutoff)
LP steam 350 kPa(a) (to the tempered-water circuits of the phosgene evaporator and the degassing) feed:LPS flowsheet energy streams Q3 (phosgene evaporator) and Q4 (degassing), D-009 steam, LP, 138.85 degC, 3.5 bar(a) From streams Q3, Q4	0.06902	kilowatt hour	assumed	4 4 1 3 3	Atlas: heat from steam, per kWh (Atlas unit proxy) (heat from steam, by energy, GLO)
Spent scrubber liquor to wastewater treatment product:WW flowsheet stream S13 (D-007) From stream S13	5.802	kilogram	calculated	3 4 1 3 3	Atlas (plant): wastewater to treatment, per kg (Atlas unit proxy) (wastewater, by mass, GLO) compatible: grade the input names wastewater only; wastewater (Wastewater treated) is taken; unit kilogram; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Chilled brine return (253 K) product:BRINE flowsheet energy streams Q1 (charge cooling) and Q2 (heat of phosgenation and of the phosgene's absorption, the semi-batch model's, core ADR 0063), D-009, D-015 cold, -25 degC From streams Q1, Q2	0.163	kilowatt hour	assumed	4 4 1 3 3	unlinked unlinked, no technosphere mapping: no mapping (chemical 'chilled-water'); add it to lci/mappings.yaml technosphere or to the process's lca/mappings.yaml exchanges
Cooling water return product:CW flowsheet energy stream Q5 (scrubber cooler), D-009 cold, 25 degC From stream Q5	0.3535	kilowatt hour	assumed	4 4 1 3 3	Atlas (plant): cooling water service, per kWh heat rejected (Atlas screening proxy) (heat rejected to cooling water, GLO) compatible: grade the input names cooling-water only; cooling-water (Heat rejected to cooling water, 25/35 degC) is taken; unit kilowatt hour; carrier cold, 25 degC from cold, 25 degC; system model cutoff (one database); allocation mass (single-output); boundary plant gate of a site utility: no utility market yet (docs/markets.md)
Nitrogen for inerting R-101, breaking its vacuum and padding the transfer consumable:nitrogen 12 Nm3 per batch (3 vessel volumes of the 2.5 m3 R-101 purged, the vacuum broken once, the transfer padded) x 1.2506 kg/Nm3, ASSUMED (D-012); 15 kg per batch x 565.269 batches in 7920 h (process/recipe.yaml, case design, bottleneck PHOSGENATE)	0.008477	kilogram	assumed	4 4 1 3 3	Atlas (pinned): Cryogenic air separation unit (500 t/d GOX) (Nitrogen, gaseous, <= 10 ppm O2, 8 barg, GLO) compatible: grade the input names nitrogen only; nitrogen/gan-8barg-10ppm (Nitrogen, gaseous, <= 10 ppm O2, 8 barg) is taken; unit kilogram; system model cutoff (one database); allocation exergy (physical-exergy); boundary plant gate (pinned): no distribution or losses; the consumer's dataset counts its delivery

Elementary flows

No elementary flows are exported for this activity (pass-through emissions and free inputs are left out, see the caveats).

The streams are the plant's own flows: an amount here is allocated and per 1 kilogram of Benzyl chloroformate (neat) to cold storage, so it differs from the stream's flow, and it can sum several streams.

Where these numbers come from: each exchange names its source above; the dataset is processes/benzyl-chloroformate-1/lca/dataset.yaml in library version a3c52e4.

Used by

No other activity of this database links to it.

How good it is

Review

Not reviewed: no LCI review record yet

Data quality

DQR 2.33 · PEF-style DQR 2.73

TeR 3 · GeR 3 · TiR 1 · P 3.9 · C 4 · weakest TeR · primary data 0 %

Mass and carbon closure

Assessed (lca/manifest.json balance, tolerance 5 %: design maturity concept (sourced screening))

lci-carbon-origin: not-assessable
lci-element-balance: not-assessable
lci-mass-balance: closed

element balance not assessable: no composition for consumable:nitrogen (no composition)
carbon balance not assessable: no composition for consumable:nitrogen (no composition)

Change report

Not available: this build has no change report against an earlier release.

KPI benchmark positions

KPI	Value	Reference range	Position
Benzyl alcohol consumption per kg of benzyl chloroformate No open source with a plant's or a pilot's benzyl alcohol use per kg of benzyl chloroformate found (searched 2026-11-05: Google Patents US 6 696 590 B2 and US 3 966 786 A read, laboratory and continuous examples only; web search for benzyl chloroformate production yields and consumption). US 6 696 590 B2 Ex. 3 implies 0.79 kg/kg (217 g of alcohol for 275 g of product, an 81 % isolated laboratory yield), a single value and the dataset's own basis of conditions; the stoichiometric floor is 0.634 kg/kg.	– kg/kg	not available	not evaluated
Phosgene consumption per kg of benzyl chloroformate No open source with a plant's phosgene use per kg of benzyl chloroformate found (searched 2026-11-05 as for bcf-specific-benzyl-alcohol); US 6 696 590 B2 states a preferred excess of 1.5 to 2.5 mol per mol of alcohol and uses 1.27 in Ex. 3 (the dataset's ratio), no plant figure; the stoichiometric floor is 0.580 kg/kg.	– kg/kg	not available	not evaluated

How to use it

Downloads

cheme-as-code-atlas-preview-a3c52e4.xlsx · bw2io ExcelImporter workbook (bw2io 0.9 Excel layout) · the whole database
code benzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCF
cheme-as-code-atlas-preview-a3c52e4-olca-jsonld.zip · openLCA JSON-LD (olca-schema) (2) · the whole database
process 6eca8c13-13aa-51c5-b127-4eda34c53cb4 (processes/6eca8c13-13aa-51c5-b127-4eda34c53cb4.json)
cheme-as-code-atlas-preview-a3c52e4-multifunctional.json · Brightway 2.5 multifunctional database (JSON, for the multifunctional package) (cheme-as-code/lci-multifunctional/v1) · the whole database
code benzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCF
cheme_as_code_lci-0.1.0-py3-none-any.whl · the installer

A file with this activity alone is not available: each file above is the whole database, and the line under it says how to find this activity there.

import bw2data as bd
from cheme_as_code_lci import install

bd.projects.set_current("my-project")   # holds your licensed background + biosphere3
install("cheme-as-code-atlas-preview-a3c52e4.xlsx", background="ecoinvent-3.11-cutoff", location="DE")
activity = bd.get_activity(("cheme-as-code-atlas-preview-a3c52e4", "benzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCF"))

While any exchange of the database has no mapping, install() writes nothing and only lists the unlinked exchanges. So the last line finds no activity until the gaps are mapped: the download section gives the ways to use the database now.

How to cite

Benzyl chloroformate (neat) to cold storage, from Benzyl chloroformate by semi-batch phosgenation of benzyl alcohol at reduced pressure (1000 t/a, batch) (dataset benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a 0.1.0), ChemE-as-Code Process Atlas LCI database preview-a3c52e4, activity benzyl-chloroformate-1:benzyl-chloroformate-by-semi-batch-phosgenation-of-benzyl-alcohol-1000-t-a:product:BCF. Cite the Process Atlas paper (in preparation, 2026), by Artur M. Schweidtmann and Jana M. Weber, and the ChemE-as-Code Process Atlas LCI database version preview-a3c52e4.

DOI: none yet (the Process Atlas paper is in preparation)

For the data, cite the Process Atlas paper; for the platform that builds and checks it, the ChemE-as-Code paper.

Schweidtmann, A. M. & Weber, J. M. (2026, in preparation). Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title).

BibTeX

@unpublished{schweidtmann_process_atlas,
  author = {Schweidtmann, Artur M. and Weber, Jana M.},
  title = {{Process Atlas: an open, git-native, reproducible library and life cycle inventory of chemical processes (working title)}},
  year = {2026},
  url = {https://atlas.cheme-as-code.org},
  note = {in preparation}
}

Schweidtmann, A. M. (2026). ChemE-as-Code: An Open-Source Platform for Agentic AI in Chemical Engineering. arXiv:2611.07947. https://doi.org/10.48550/arXiv.2611.07947

BibTeX

@misc{schweidtmann_cheme_as_code,
  author = {Schweidtmann, Artur M.},
  title = {{ChemE-as-Code: An Open-Source Platform for Agentic AI in Chemical Engineering}},
  year = {2026},
  eprint = {2611.07947},
  archivePrefix = {arXiv},
  doi = {10.48550/arXiv.2611.07947},
  url = {https://arxiv.org/abs/2611.07947}
}