- InChI
- InChI=1S/C21H30O5/c1-15(2)7-6-14-25-20(22)18-8-4-5-9-19(18)21(23)26-17-12-10-16(24-3)11-13-17/h10-13,15,18-19H,4-9,14H2,1-3H3
- InChI Key
- XGFOFQIRAQSMNY-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
COc1ccc(OC(=O)C2CCCCC2C(=O)OCC
CC(C)C)cc1 - Molecular Weight1
- 362.46
- 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° | -329.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.96 | Crippen Calculated Property | |
| logPoct/wat | 4.386 | Crippen Calculated Property | |
| McVol | 292.880 | ml/mol | McGowan Calculated Property |
| Pc | 1410.13 | kPa | Joback Calculated Property |
| Inp | [2656.00; 2656.00] |
|
|
| Inp | 2656.00 | NIST | |
| Inp | 2656.00 | NIST | |
| Tboil | 900.98 | K | Joback Calculated Property |
| Tc | 1121.17 | K | Joback Calculated Property |
| Tfus | 520.06 | K | Joback Calculated Property |
| Vc | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.41; 1039.90] | J/mol×K | [900.98; 1121.17] |
|
| Cp,gas | 966.41 | J/mol×K | 900.98 | Joback Calculated Property |
| Cp,gas | 982.90 | J/mol×K | 937.68 | Joback Calculated Property |
| Cp,gas | 997.67 | J/mol×K | 974.38 | Joback Calculated Property |
| Cp,gas | 1010.75 | J/mol×K | 1011.08 | Joback Calculated Property |
| Cp,gas | 1022.14 | J/mol×K | 1047.78 | Joback Calculated Property |
| Cp,gas | 1031.85 | J/mol×K | 1084.47 | Joback Calculated Property |
| Cp,gas | 1039.90 | J/mol×K | 1121.17 | Joback Calculated Property |
| η | [0.0000440; 0.0005225] | Pa×s | [520.06; 900.98] |
|
| η | 0.0005225 | Pa×s | 520.06 | Joback Calculated Property |
| η | 0.0002765 | Pa×s | 583.55 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 647.03 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 710.52 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 774.01 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 837.49 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 900.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 4-methoxyphenyl ester.
Sources
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