- InChI
- InChI=1S/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2
- InChI Key
- WQULVXNWEYLDJY-UHFFFAOYSA-N
- Formula
- C5H8Cl2O3
- SMILES
- O=C(OCCCl)OCCCl
- Molecular Weight1
- 187.02
- CAS
- 623-97-2
- Other Names
-
- Carbonic acid bis(2-chloroethyl) ester
- Ethanol, 2-chloro-, carbonate (2:1)
- Bis(2-chloroethyl)carbonate
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -666.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.73 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.617 | Crippen Calculated Property | |
| McVol | 119.100 | ml/mol | McGowan Calculated Property |
| Tboil | 495.80 | K | Relay (1.0) Calculated Property |
| Tc | 655.94 | K | Relay (1.0) Calculated Property |
| Tfus | 266.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [227.71; 272.24] | J/mol×K | [469.50; 657.78] | 
|
| Cp,gas | 227.71 | J/mol×K | 469.50 | Joback Calculated Property |
| Cp,gas | 235.91 | J/mol×K | 500.88 | Joback Calculated Property |
| Cp,gas | 243.81 | J/mol×K | 532.26 | Joback Calculated Property |
| Cp,gas | 251.40 | J/mol×K | 563.64 | Joback Calculated Property |
| Cp,gas | 258.68 | J/mol×K | 595.02 | Joback Calculated Property |
| Cp,gas | 265.63 | J/mol×K | 626.40 | Joback Calculated Property |
| Cp,gas | 272.24 | J/mol×K | 657.78 | Joback Calculated Property |
| η | [0.0002579; 0.0033457] | Pa×s | [270.51; 469.50] |
|
| η | 0.0033457 | Pa×s | 270.51 | Joback Calculated Property |
| η | 0.0017286 | Pa×s | 303.68 | Joback Calculated Property |
| η | 0.0010171 | Pa×s | 336.84 | Joback Calculated Property |
| η | 0.0006582 | Pa×s | 370.00 | Joback Calculated Property |
| η | 0.0004575 | Pa×s | 403.17 | Joback Calculated Property |
| η | 0.0003361 | Pa×s | 436.33 | Joback Calculated Property |
| η | 0.0002579 | Pa×s | 469.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroethyl carbonate.
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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