- InChI
- InChI=1S/C13H17ClO2/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3
- InChI Key
- POKLGWFGOJKHSV-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CCCC(C)COC(=O)c1ccccc1Cl
- Molecular Weight1
- 240.73
- 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° | -86.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1724.00; 1724.00] |
|
|
| Inp | 1724.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Tboil | 641.78 | K | Joback Calculated Property |
| Tc | 853.39 | K | Joback Calculated Property |
| Tfus | 362.29 | K | Joback Calculated Property |
| Vc | 0.723 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.84; 548.48] | J/mol×K | [641.78; 853.39] |
|
| Cp,gas | 471.84 | J/mol×K | 641.78 | Joback Calculated Property |
| Cp,gas | 486.78 | J/mol×K | 677.05 | Joback Calculated Property |
| Cp,gas | 500.82 | J/mol×K | 712.32 | Joback Calculated Property |
| Cp,gas | 513.99 | J/mol×K | 747.58 | Joback Calculated Property |
| Cp,gas | 526.31 | J/mol×K | 782.85 | Joback Calculated Property |
| Cp,gas | 537.80 | J/mol×K | 818.12 | Joback Calculated Property |
| Cp,gas | 548.48 | J/mol×K | 853.39 | Joback Calculated Property |
| η | [0.0001452; 0.0017997] | Pa×s | [362.29; 641.78] |
|
| η | 0.0017997 | Pa×s | 362.29 | Joback Calculated Property |
| η | 0.0009315 | Pa×s | 408.87 | Joback Calculated Property |
| η | 0.0005517 | Pa×s | 455.45 | Joback Calculated Property |
| η | 0.0003601 | Pa×s | 502.03 | Joback Calculated Property |
| η | 0.0002527 | Pa×s | 548.62 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 595.20 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 641.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 2-methylpentyl ester.
Sources
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