- InChI
- InChI=1S/C4H6ClNO3/c1-9-4(8)6-3(7)2-5/h2H2,1H3,(H,6,7,8)
- InChI Key
- SYWSERLZKPGKDI-UHFFFAOYSA-N
- Formula
- C4H6ClNO3
- SMILES
- COC(=O)NC(=O)CCl
- Molecular Weight1
- 151.55
- CAS
- 13558-70-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5555 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.108 | Crippen Calculated Property | |
| McVol | 98.450 | ml/mol | McGowan Calculated Property |
| Pc | 4345.39 | kPa | Joback Calculated Property |
| Tboil | 496.69 | K | Relay (1.0) Calculated Property |
| Tc | 710.54 | K | Relay (1.0) Calculated Property |
| Tfus | 340.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.14; 234.21] | J/mol×K | [508.68; 709.94] | 
|
| Cp,gas | 196.14 | J/mol×K | 508.68 | Joback Calculated Property |
| Cp,gas | 203.30 | J/mol×K | 542.22 | Joback Calculated Property |
| Cp,gas | 210.13 | J/mol×K | 575.77 | Joback Calculated Property |
| Cp,gas | 216.65 | J/mol×K | 609.31 | Joback Calculated Property |
| Cp,gas | 222.83 | J/mol×K | 642.86 | Joback Calculated Property |
| Cp,gas | 228.69 | J/mol×K | 676.40 | Joback Calculated Property |
| Cp,gas | 234.21 | J/mol×K | 709.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl N-chloroacetylcarbamate.
Sources
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