- InChI
- InChI=1S/C31H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-30(32)28-24-21-22-25-29(28)31(33)35-27(5-2)6-3/h27-29H,4-26H2,1-3H3
- InChI Key
- YSWJWPPFHWQKIJ-UHFFFAOYSA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C1CCCC
C1C(=O)OC(CC)CC - Molecular Weight1
- 494.79
- 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° | -243.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1144.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.64 | kJ/mol | Joback Calculated Property |
| log10WS | -10.05 | Crippen Calculated Property | |
| logPoct/wat | 9.329 | Crippen Calculated Property | |
| McVol | 451.670 | ml/mol | McGowan Calculated Property |
| Pc | 650.11 | kPa | Joback Calculated Property |
| Inp | [3403.00; 3403.00] |
|
|
| Inp | 3403.00 | NIST | |
| Inp | 3403.00 | NIST | |
| Tboil | 1075.70 | K | Joback Calculated Property |
| Tc | 1336.51 | K | Joback Calculated Property |
| Tfus | 571.59 | K | Joback Calculated Property |
| Vc | 1.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1669.67; 1757.75] | J/mol×K | [1075.70; 1336.51] |
|
| Cp,gas | 1669.67 | J/mol×K | 1075.70 | Joback Calculated Property |
| Cp,gas | 1690.84 | J/mol×K | 1119.17 | Joback Calculated Property |
| Cp,gas | 1709.28 | J/mol×K | 1162.64 | Joback Calculated Property |
| Cp,gas | 1725.09 | J/mol×K | 1206.10 | Joback Calculated Property |
| Cp,gas | 1738.36 | J/mol×K | 1249.57 | Joback Calculated Property |
| Cp,gas | 1749.22 | J/mol×K | 1293.04 | Joback Calculated Property |
| Cp,gas | 1757.75 | J/mol×K | 1336.51 | Joback Calculated Property |
| η | [0.0000123; 0.0002969] | Pa×s | [571.59; 1075.70] |
|
| η | 0.0002969 | Pa×s | 571.59 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 655.61 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 739.63 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 823.64 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 907.66 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 991.68 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 1075.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octadecyl 3-pentyl ester.
Sources
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