- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -656.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.108 | Crippen Calculated Property | |
| McVol | 98.450 | ml/mol | McGowan Calculated Property |
| Tboil | 496.69 | K | Relay (1.0) Calculated Property |
| Tfus | 331.39 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [194.96; 233.99] | J/mol×K | [490.81; 689.13] | 
|
| Cp,gas | 194.96 | J/mol×K | 490.81 | Joback Calculated Property |
| Cp,gas | 202.38 | J/mol×K | 523.86 | Joback Calculated Property |
| Cp,gas | 209.43 | J/mol×K | 556.92 | Joback Calculated Property |
| Cp,gas | 216.12 | J/mol×K | 589.97 | Joback Calculated Property |
| Cp,gas | 222.45 | J/mol×K | 623.02 | Joback Calculated Property |
| Cp,gas | 228.41 | J/mol×K | 656.08 | Joback Calculated Property |
| Cp,gas | 233.99 | J/mol×K | 689.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl N-chloroacetylcarbamate.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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