- InChI
- InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
- InChI Key
- SEPMCAVKHUPSMA-UHFFFAOYSA-N
- Formula
- C8H8ClNO2
- SMILES
- COC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 185.61
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5514 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 129.480 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | 1510.00 | NIST | |
| Tboil | 538.57 | K | Relay (1.0) Calculated Property |
| Tc | 791.82 | K | Relay (1.0) Calculated Property |
| Tfus | 331.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.88; 334.09] | J/mol×K | [577.99; 803.50] | 
|
| Cp,gas | 279.88 | J/mol×K | 577.99 | Joback Calculated Property |
| Cp,gas | 290.58 | J/mol×K | 615.58 | Joback Calculated Property |
| Cp,gas | 300.59 | J/mol×K | 653.16 | Joback Calculated Property |
| Cp,gas | 309.93 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 318.62 | J/mol×K | 728.33 | Joback Calculated Property |
| Cp,gas | 326.67 | J/mol×K | 765.92 | Joback Calculated Property |
| Cp,gas | 334.09 | J/mol×K | 803.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, 3-chlorophenyl-, methyl ester.
Sources
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