- InChI
- InChI=1S/C3H4BrClO2/c4-1-2-7-3(5)6/h1-2H2
- InChI Key
- ZLCKDYMZBZNBMJ-UHFFFAOYSA-N
- Formula
- C3H4BrClO2
- SMILES
- O=C(Cl)OCCBr
- Molecular Weight1
- 187.42
- CAS
- 4801-27-8
- Other Names
-
- (2-Bromoethoxy)carbonyl chloride
- 2-Bromoethyl chlorocarbonate
- 2-Bromoethyl chloroformate
- Chloroformic acid «beta»-bromoethyl ester
- Chloroformic acid 2-bromoethyl ester
- Ethanol, 2-bromo-, chloroformate
- Formic acid, chloro-, 2-bromoethyl ester
- «beta»-Bromoethyl chloroformate
- 2-Bromoethyl chloridocarbonate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -402.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.19 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.757 | Crippen Calculated Property | |
| McVol | 90.310 | ml/mol | McGowan Calculated Property |
| Tboil | 442.10 | K | Relay (1.0) Calculated Property |
| Tc | 598.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.21; 171.36] | J/mol×K | [430.05; 634.45] | 
|
| Cp,gas | 142.21 | J/mol×K | 430.05 | Joback Calculated Property |
| Cp,gas | 147.77 | J/mol×K | 464.12 | Joback Calculated Property |
| Cp,gas | 153.04 | J/mol×K | 498.18 | Joback Calculated Property |
| Cp,gas | 158.04 | J/mol×K | 532.25 | Joback Calculated Property |
| Cp,gas | 162.75 | J/mol×K | 566.32 | Joback Calculated Property |
| Cp,gas | 167.19 | J/mol×K | 600.39 | Joback Calculated Property |
| Cp,gas | 171.36 | J/mol×K | 634.45 | Joback Calculated Property |
| η | [0.0003940; 0.0038634] | Pa×s | [255.62; 430.05] |
|
| η | 0.0038634 | Pa×s | 255.62 | Joback Calculated Property |
| η | 0.0021745 | Pa×s | 284.69 | Joback Calculated Property |
| η | 0.0013614 | Pa×s | 313.76 | Joback Calculated Property |
| η | 0.0009228 | Pa×s | 342.83 | Joback Calculated Property |
| η | 0.0006648 | Pa×s | 371.91 | Joback Calculated Property |
| η | 0.0005022 | Pa×s | 400.98 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 430.05 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Carbonochloridic acid, 2-bromoethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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