- InChI
- InChI=1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9)
- InChI Key
- BSCCSDNZEIHXOK-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- NC(=O)Oc1ccccc1
- Molecular Weight1
- 137.14
- CAS
- 622-46-8
- Other Names
-
- Phenyl carbamate
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -47.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.25 | kJ/mol | Joback Calculated Property |
| IE | 9.14 | eV | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.144 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| I | [2006.00; 2006.00] |
|
|
| I | 2006.00 | NIST | |
| I | 2006.00 | NIST | |
| I | 2006.00 | NIST | |
| Tboil | 535.06 | K | Joback Calculated Property |
| Tc | 769.17 | K | Joback Calculated Property |
| Tfus | 350.49 | K | Joback Calculated Property |
| Vc | 0.372 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.35; 274.92] | J/mol×K | [535.06; 769.17] |
|
| Cp,gas | 222.35 | J/mol×K | 535.06 | Joback Calculated Property |
| Cp,gas | 232.77 | J/mol×K | 574.08 | Joback Calculated Property |
| Cp,gas | 242.51 | J/mol×K | 613.10 | Joback Calculated Property |
| Cp,gas | 251.57 | J/mol×K | 652.12 | Joback Calculated Property |
| Cp,gas | 259.99 | J/mol×K | 691.13 | Joback Calculated Property |
| Cp,gas | 267.77 | J/mol×K | 730.15 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 769.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, phenyl ester.
Sources
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