- InChI
- InChI=1S/C13H14ClNO2/c14-9-3-1-2-4-13(16)17-12-7-5-11(10-15)6-8-12/h5-8H,1-4,9H2
- InChI Key
- SDRUVBBNRXNYRO-UHFFFAOYSA-N
- Formula
- C13H14ClNO2
- SMILES
- N#Cc1ccc(OC(=O)CCCCCCl)cc1
- Molecular Weight1
- 251.71
- 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° | 48.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.263 | Crippen Calculated Property | |
| McVol | 191.330 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [2028.00; 2028.00] |
|
|
| Inp | 2028.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Tboil | 744.30 | K | Joback Calculated Property |
| Tc | 964.13 | K | Joback Calculated Property |
| Tfus | 442.28 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.09; 553.74] | J/mol×K | [744.30; 964.13] |
|
| Cp,gas | 495.09 | J/mol×K | 744.30 | Joback Calculated Property |
| Cp,gas | 506.88 | J/mol×K | 780.94 | Joback Calculated Property |
| Cp,gas | 517.84 | J/mol×K | 817.58 | Joback Calculated Property |
| Cp,gas | 527.97 | J/mol×K | 854.22 | Joback Calculated Property |
| Cp,gas | 537.32 | J/mol×K | 890.85 | Joback Calculated Property |
| Cp,gas | 545.90 | J/mol×K | 927.49 | Joback Calculated Property |
| Cp,gas | 553.74 | J/mol×K | 964.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 4-cyanophenyl ester.
Sources
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