- InChI
- InChI=1S/C21H29ClO4/c1-21(2,3)15-10-12-17(13-11-15)25-19(23)8-5-9-20(24)26-18-7-4-6-16(22)14-18/h4,6-7,14-15,17H,5,8-13H2,1-3H3
- InChI Key
- QEEYFQADBLTCOI-UHFFFAOYSA-N
- Formula
- C21H29ClO4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc
2cccc(Cl)c2)CC1 - Molecular Weight1
- 380.91
- 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° | -231.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.564 | Crippen Calculated Property | |
| McVol | 299.250 | ml/mol | McGowan Calculated Property |
| Pc | 1400.64 | kPa | Joback Calculated Property |
| Inp | [2814.00; 2814.00] |
|
|
| Inp | 2814.00 | NIST | |
| Inp | 2814.00 | NIST | |
| Tboil | 913.20 | K | Joback Calculated Property |
| Tc | 1141.97 | K | Joback Calculated Property |
| Tfus | 545.17 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.65; 1036.79] | J/mol×K | [913.20; 1141.97] |
|
| Cp,gas | 963.65 | J/mol×K | 913.20 | Joback Calculated Property |
| Cp,gas | 979.61 | J/mol×K | 951.33 | Joback Calculated Property |
| Cp,gas | 993.98 | J/mol×K | 989.46 | Joback Calculated Property |
| Cp,gas | 1006.83 | J/mol×K | 1027.58 | Joback Calculated Property |
| Cp,gas | 1018.21 | J/mol×K | 1065.71 | Joback Calculated Property |
| Cp,gas | 1028.17 | J/mol×K | 1103.84 | Joback Calculated Property |
| Cp,gas | 1036.79 | J/mol×K | 1141.97 | Joback Calculated Property |
| η | [0.0000428; 0.0004893] | Pa×s | [545.17; 913.20] |
|
| η | 0.0004893 | Pa×s | 545.17 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 606.51 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 667.85 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 729.18 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 790.52 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 851.86 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 913.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl trans-4-tert-butylcyclohexyl ester.
Sources
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