- InChI
- InChI=1S/C12H12ClNO2/c13-8-2-1-3-12(15)16-11-6-4-10(9-14)5-7-11/h4-7H,1-3,8H2
- InChI Key
- ZNTCEUKZWJLZDV-UHFFFAOYSA-N
- Formula
- C12H12ClNO2
- SMILES
- N#Cc1ccc(OC(=O)CCCCCl)cc1
- Molecular Weight1
- 237.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 2.873 | Crippen Calculated Property | |
| McVol | 177.240 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | 1908.00 | NIST | |
| Tboil | 721.42 | K | Joback Calculated Property |
| Tc | 944.72 | K | Joback Calculated Property |
| Tfus | 431.01 | K | Joback Calculated Property |
| Vc | 0.699 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.51; 499.36] | J/mol×K | [721.42; 944.72] | 
|
| Cp,gas | 443.51 | J/mol×K | 721.42 | Joback Calculated Property |
| Cp,gas | 454.76 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 465.20 | J/mol×K | 795.85 | Joback Calculated Property |
| Cp,gas | 474.86 | J/mol×K | 833.07 | Joback Calculated Property |
| Cp,gas | 483.76 | J/mol×K | 870.29 | Joback Calculated Property |
| Cp,gas | 491.92 | J/mol×K | 907.51 | Joback Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 944.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-cyanophenyl ester.
Sources
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