- InChI
- InChI=1S/C12H15ClO2/c1-8(2)9(3)15-12(14)10-4-6-11(13)7-5-10/h4-9H,1-3H3
- InChI Key
- OMYRCAJCAGZMSM-UHFFFAOYSA-N
- Formula
- C12H15ClO2
- SMILES
- CC(C)C(C)OC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 226.70
- 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.
- I : 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° | -97.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 3.541 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [1515.00; 1535.00] |
|
|
| Inp | 1518.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1534.00 | NIST | |
| I | [1995.00; 2032.00] |
|
|
| I | 1996.00 | NIST | |
| I | 1996.00 | NIST | |
| I | 2014.00 | NIST | |
| I | 2032.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 1995.00 | NIST | |
| I | 2017.00 | NIST | |
| I | 2030.00 | NIST | |
| Tboil | 618.46 | K | Joback Calculated Property |
| Tc | 838.01 | K | Joback Calculated Property |
| Tfus | 336.02 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.24; 497.15] | J/mol×K | [618.46; 838.01] |
|
| Cp,gas | 422.24 | J/mol×K | 618.46 | Joback Calculated Property |
| Cp,gas | 436.93 | J/mol×K | 655.05 | Joback Calculated Property |
| Cp,gas | 450.70 | J/mol×K | 691.64 | Joback Calculated Property |
| Cp,gas | 463.59 | J/mol×K | 728.23 | Joback Calculated Property |
| Cp,gas | 475.62 | J/mol×K | 764.82 | Joback Calculated Property |
| Cp,gas | 486.79 | J/mol×K | 801.42 | Joback Calculated Property |
| Cp,gas | 497.15 | J/mol×K | 838.01 | Joback Calculated Property |
| η | [0.0001507; 0.0024032] | Pa×s | [336.02; 618.46] |
|
| η | 0.0024032 | Pa×s | 336.02 | Joback Calculated Property |
| η | 0.0011407 | Pa×s | 383.09 | Joback Calculated Property |
| η | 0.0006373 | Pa×s | 430.17 | Joback Calculated Property |
| η | 0.0003994 | Pa×s | 477.24 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 524.31 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 571.39 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 618.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro, 1,2-dimethylpropyl ester.
Sources
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