- InChI
- InChI=1S/C10H9ClN2O2/c11-8-3-1-4-9(7-8)13-10(14)15-6-2-5-12/h1,3-4,7H,2,6H2,(H,13,14)
- InChI Key
- MPBQWHXSXRKKPK-UHFFFAOYSA-N
- Formula
- C10H9ClN2O2
- SMILES
- N#CCCOC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 224.64
- CAS
- 5330-47-2
- 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° | 112.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 159.040 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Tboil | 725.83 | K | Joback Calculated Property |
| Tc | 955.38 | K | Joback Calculated Property |
| Tfus | 461.13 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.52; 436.59] | J/mol×K | [725.83; 955.38] | 
|
| Cp,gas | 389.52 | J/mol×K | 725.83 | Joback Calculated Property |
| Cp,gas | 399.20 | J/mol×K | 764.09 | Joback Calculated Property |
| Cp,gas | 408.13 | J/mol×K | 802.35 | Joback Calculated Property |
| Cp,gas | 416.31 | J/mol×K | 840.60 | Joback Calculated Property |
| Cp,gas | 423.77 | J/mol×K | 878.86 | Joback Calculated Property |
| Cp,gas | 430.52 | J/mol×K | 917.12 | Joback Calculated Property |
| Cp,gas | 436.59 | J/mol×K | 955.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to M-chlorocarbanilic acid, 2-cyanoethyl ester.
Sources
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