- InChI
- InChI=1S/C25H30O4/c1-2-3-11-18-28-24(26)21-15-7-8-16-22(21)25(27)29-23-17-10-9-14-20(23)19-12-5-4-6-13-19/h4-6,9-10,12-14,17,21-22H,2-3,7-8,11,15-16,18H2,1H3
- InChI Key
- VVKSMWGRGQRBCD-UHFFFAOYSA-N
- Formula
- C25H30O4
- SMILES
-
CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc
cc1-c1ccccc1 - Molecular Weight1
- 394.50
- 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° | -76.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.89 | kJ/mol | Joback Calculated Property |
| log10WS | -7.27 | Crippen Calculated Property | |
| logPoct/wat | 5.799 | Crippen Calculated Property | |
| McVol | 319.610 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | 2871.00 | NIST | |
| Tboil | 997.20 | K | Joback Calculated Property |
| Tc | 1236.63 | K | Joback Calculated Property |
| Tfus | 584.33 | K | Joback Calculated Property |
| Vc | 1.200 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.72; 1133.77] | J/mol×K | [997.20; 1236.63] | 
|
| Cp,gas | 1074.72 | J/mol×K | 997.20 | Joback Calculated Property |
| Cp,gas | 1088.98 | J/mol×K | 1037.11 | Joback Calculated Property |
| Cp,gas | 1101.38 | J/mol×K | 1077.01 | Joback Calculated Property |
| Cp,gas | 1112.00 | J/mol×K | 1116.92 | Joback Calculated Property |
| Cp,gas | 1120.89 | J/mol×K | 1156.82 | Joback Calculated Property |
| Cp,gas | 1128.13 | J/mol×K | 1196.73 | Joback Calculated Property |
| Cp,gas | 1133.77 | J/mol×K | 1236.63 | Joback Calculated Property |
| η | [0.0000379; 0.0003907] | Pa×s | [584.33; 997.20] |
|
| η | 0.0003907 | Pa×s | 584.33 | Joback Calculated Property |
| η | 0.0002158 | Pa×s | 653.14 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 721.95 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 790.77 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 859.58 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 928.39 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 997.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester.
Sources
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