- InChI
- InChI=1S/C14H17ClO2/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
- InChI Key
- UEGFSNRJGAKXDY-UHFFFAOYSA-N
- Formula
- C14H17ClO2
- SMILES
- O=C(OCC1CCCCC1)c1cccc(Cl)c1
- Molecular Weight1
- 252.74
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -51.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 4.077 | Crippen Calculated Property | |
| McVol | 193.180 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1959.00; 1959.00] |
|
|
| Inp | 1959.00 | NIST | |
| Inp | 1959.00 | NIST | |
| Tboil | 684.65 | K | Joback Calculated Property |
| Tc | 923.52 | K | Joback Calculated Property |
| Tfus | 395.94 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.71; 602.18] | J/mol×K | [684.65; 923.52] |
|
| Cp,gas | 514.71 | J/mol×K | 684.65 | Joback Calculated Property |
| Cp,gas | 532.58 | J/mol×K | 724.46 | Joback Calculated Property |
| Cp,gas | 549.08 | J/mol×K | 764.27 | Joback Calculated Property |
| Cp,gas | 564.24 | J/mol×K | 804.09 | Joback Calculated Property |
| Cp,gas | 578.12 | J/mol×K | 843.90 | Joback Calculated Property |
| Cp,gas | 590.75 | J/mol×K | 883.71 | Joback Calculated Property |
| Cp,gas | 602.18 | J/mol×K | 923.52 | Joback Calculated Property |
| η | [0.0001479; 0.0016673] | Pa×s | [395.94; 684.65] |
|
| η | 0.0016673 | Pa×s | 395.94 | Joback Calculated Property |
| η | 0.0008946 | Pa×s | 444.06 | Joback Calculated Property |
| η | 0.0005422 | Pa×s | 492.18 | Joback Calculated Property |
| η | 0.0003592 | Pa×s | 540.30 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 588.41 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 636.53 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 684.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, cyclohexylmethyl ester.
Sources
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