- InChI
- InChI=1S/C27H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31-27(29)25-21-18-17-20-24(25)26(28)30-22-4-2/h4,24-25H,2-3,5-23H2,1H3
- InChI Key
- MXBJKTJQZPZNOD-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
C=CCOC(=O)C1CCCCC1C(=O)OCCCCCC
CCCCCCCCCC - Molecular Weight1
- 436.67
- 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° | -186.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.46 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.546 | Crippen Calculated Property | |
| McVol | 391.010 | ml/mol | McGowan Calculated Property |
| Pc | 814.46 | kPa | Joback Calculated Property |
| Inp | [3075.00; 3075.00] |
|
|
| Inp | 3075.00 | NIST | |
| Inp | 3075.00 | NIST | |
| Tboil | 981.30 | K | Joback Calculated Property |
| Tc | 1202.91 | K | Joback Calculated Property |
| Tfus | 539.75 | K | Joback Calculated Property |
| Vc | 1.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1380.25; 1472.69] | J/mol×K | [981.30; 1202.91] |
|
| Cp,gas | 1380.25 | J/mol×K | 981.30 | Joback Calculated Property |
| Cp,gas | 1400.12 | J/mol×K | 1018.24 | Joback Calculated Property |
| Cp,gas | 1418.13 | J/mol×K | 1055.17 | Joback Calculated Property |
| Cp,gas | 1434.34 | J/mol×K | 1092.11 | Joback Calculated Property |
| Cp,gas | 1448.80 | J/mol×K | 1129.04 | Joback Calculated Property |
| Cp,gas | 1461.56 | J/mol×K | 1165.98 | Joback Calculated Property |
| Cp,gas | 1472.69 | J/mol×K | 1202.91 | Joback Calculated Property |
| η | [0.0000274; 0.0004674] | Pa×s | [539.75; 981.30] |
|
| η | 0.0004674 | Pa×s | 539.75 | Joback Calculated Property |
| η | 0.0002195 | Pa×s | 613.34 | Joback Calculated Property |
| η | 0.0001212 | Pa×s | 686.93 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 760.53 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 834.12 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 907.71 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 981.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl hexadecyl ester.
Sources
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