- InChI
- InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
- InChI Key
- LBVUCHGNHUEOFH-UHFFFAOYSA-N
- Formula
- C9H10ClNO2
- SMILES
- CCOC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 199.63
- CAS
- 2150-89-2
- Other Names
-
- Carbanilic acid, m-chloro-, ethyl ester
- Ethyl 3-chlorophenylcarbamate
- 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 | 0.5800 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 143.570 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [1579.00; 1586.00] |
|
|
| Inp | 1579.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Tboil | 554.94 | K | Relay (1.0) Calculated Property |
| Tc | 786.34 | K | Relay (1.0) Calculated Property |
| Tfus | 322.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.59; 384.60] | J/mol×K | [600.87; 822.23] |
|
| Cp,gas | 325.59 | J/mol×K | 600.87 | Joback Calculated Property |
| Cp,gas | 337.21 | J/mol×K | 637.76 | Joback Calculated Property |
| Cp,gas | 348.09 | J/mol×K | 674.66 | Joback Calculated Property |
| Cp,gas | 358.25 | J/mol×K | 711.55 | Joback Calculated Property |
| Cp,gas | 367.72 | J/mol×K | 748.44 | Joback Calculated Property |
| Cp,gas | 376.50 | J/mol×K | 785.34 | Joback Calculated Property |
| Cp,gas | 384.60 | J/mol×K | 822.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, (3-chlorophenyl)-, ethyl ester.
Sources
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