- InChI
- InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)23-15-12-13-16-24(23)27(29)31-25-20-21(2)17-18-22(25)3/h17-18,20,23-24H,4-16,19H2,1-3H3
- InChI Key
- JLANXFOTXGAIKU-UHFFFAOYSA-N
- Formula
- C27H42O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
Oc1cc(C)ccc1C - Molecular Weight1
- 430.62
- 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° | -181.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.73 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 7.089 | Crippen Calculated Property | |
| McVol | 371.550 | ml/mol | McGowan Calculated Property |
| Pc | 949.67 | kPa | Joback Calculated Property |
| Inp | [3110.00; 3110.00] |
|
|
| Inp | 3110.00 | NIST | |
| Inp | 3110.00 | NIST | |
| Tboil | 1021.26 | K | Joback Calculated Property |
| Tc | 1250.45 | K | Joback Calculated Property |
| Tfus | 592.97 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1304.47; 1375.12] | J/mol×K | [1021.26; 1250.45] |
|
| Cp,gas | 1304.47 | J/mol×K | 1021.26 | Joback Calculated Property |
| Cp,gas | 1320.94 | J/mol×K | 1059.46 | Joback Calculated Property |
| Cp,gas | 1335.47 | J/mol×K | 1097.66 | Joback Calculated Property |
| Cp,gas | 1348.11 | J/mol×K | 1135.86 | Joback Calculated Property |
| Cp,gas | 1358.89 | J/mol×K | 1174.06 | Joback Calculated Property |
| Cp,gas | 1367.88 | J/mol×K | 1212.25 | Joback Calculated Property |
| Cp,gas | 1375.12 | J/mol×K | 1250.45 | Joback Calculated Property |
| η | [0.0000278; 0.0003074] | Pa×s | [592.97; 1021.26] |
|
| η | 0.0003074 | Pa×s | 592.97 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 664.35 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 735.73 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 807.12 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 878.50 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 949.88 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 1021.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl undecyl ester.
Sources
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