- InChI
- InChI=1S/C31H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h27-29H,2-26H2,1H3
- InChI Key
- HBNCTFWCYBBOHZ-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C
(=O)OCCC1CCCCC1 - Molecular Weight1
- 492.77
- 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° | -216.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1084.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.46 | kJ/mol | Joback Calculated Property |
| log10WS | -9.59 | Crippen Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 440.810 | ml/mol | McGowan Calculated Property |
| Pc | 720.69 | kPa | Joback Calculated Property |
| Inp | [3546.00; 3546.00] |
|
|
| Inp | 3546.00 | NIST | |
| Inp | 3546.00 | NIST | |
| Tboil | 1095.69 | K | Joback Calculated Property |
| Tc | 1349.57 | K | Joback Calculated Property |
| Tfus | 593.97 | K | Joback Calculated Property |
| Vc | 1.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1662.99; 1735.85] | J/mol×K | [1095.69; 1349.57] |
|
| Cp,gas | 1662.99 | J/mol×K | 1095.69 | Joback Calculated Property |
| Cp,gas | 1681.56 | J/mol×K | 1138.00 | Joback Calculated Property |
| Cp,gas | 1697.42 | J/mol×K | 1180.32 | Joback Calculated Property |
| Cp,gas | 1710.69 | J/mol×K | 1222.63 | Joback Calculated Property |
| Cp,gas | 1721.44 | J/mol×K | 1264.95 | Joback Calculated Property |
| Cp,gas | 1729.80 | J/mol×K | 1307.26 | Joback Calculated Property |
| Cp,gas | 1735.85 | J/mol×K | 1349.57 | Joback Calculated Property |
| η | [0.0000139; 0.0002953] | Pa×s | [593.97; 1095.69] |
|
| η | 0.0002953 | Pa×s | 593.97 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 677.59 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 761.21 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 844.83 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 928.45 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 1012.07 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 1095.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl pentadecyl ester.
Sources
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