- InChI
- InChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
- InChI Key
- ILBAXXVDXITICM-UHFFFAOYSA-N
- Formula
- C13H16ClNO2
- SMILES
- O=C(Nc1cccc(Cl)c1)OC1CCCCC1
- Molecular Weight1
- 253.72
- CAS
- 116373-55-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 29.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.221 | Crippen Calculated Property | |
| McVol | 189.070 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Tboil | 711.94 | K | Joback Calculated Property |
| Tc | 952.99 | K | Joback Calculated Property |
| Tfus | 437.33 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.86; 595.72] | J/mol×K | [711.94; 952.99] | 
|
| Cp,gas | 515.86 | J/mol×K | 711.94 | Joback Calculated Property |
| Cp,gas | 532.43 | J/mol×K | 752.12 | Joback Calculated Property |
| Cp,gas | 547.64 | J/mol×K | 792.29 | Joback Calculated Property |
| Cp,gas | 561.53 | J/mol×K | 832.47 | Joback Calculated Property |
| Cp,gas | 574.14 | J/mol×K | 872.64 | Joback Calculated Property |
| Cp,gas | 585.53 | J/mol×K | 912.82 | Joback Calculated Property |
| Cp,gas | 595.72 | J/mol×K | 952.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbanilic acid, m-chloro-, cyclohexyl ester.
Sources
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