- InChI
- InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-17-22-32-28(30)25-19-13-14-20-26(25)29(31)33-27-21-16-15-18-24(27)23(2)3/h15-16,18,21,23,25-26H,4-14,17,19-20,22H2,1-3H3
- InChI Key
- YFYCMVQWJDPEIK-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)Oc1ccccc1C(C)C - Molecular Weight1
- 458.67
- 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° | -157.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -877.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.78 | Crippen Calculated Property | |
| logPoct/wat | 7.986 | Crippen Calculated Property | |
| McVol | 399.730 | ml/mol | McGowan Calculated Property |
| Pc | 857.97 | kPa | Joback Calculated Property |
| Inp | [3216.00; 3216.00] |
|
|
| Inp | 3216.00 | NIST | |
| Inp | 3216.00 | NIST | |
| Tboil | 1061.60 | K | Joback Calculated Property |
| Tc | 1300.30 | K | Joback Calculated Property |
| Tfus | 587.99 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1431.03; 1499.54] | J/mol×K | [1061.60; 1300.30] |
|
| Cp,gas | 1431.03 | J/mol×K | 1061.60 | Joback Calculated Property |
| Cp,gas | 1447.49 | J/mol×K | 1101.38 | Joback Calculated Property |
| Cp,gas | 1461.84 | J/mol×K | 1141.17 | Joback Calculated Property |
| Cp,gas | 1474.15 | J/mol×K | 1180.95 | Joback Calculated Property |
| Cp,gas | 1484.49 | J/mol×K | 1220.73 | Joback Calculated Property |
| Cp,gas | 1492.93 | J/mol×K | 1260.52 | Joback Calculated Property |
| Cp,gas | 1499.54 | J/mol×K | 1300.30 | Joback Calculated Property |
| η | [0.0000181; 0.0002946] | Pa×s | [587.99; 1061.60] |
|
| η | 0.0002946 | Pa×s | 587.99 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 666.92 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 745.86 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 824.79 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 903.73 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 982.66 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 1061.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-isopropylphenyl ester.
Sources
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