- InChI
- InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)27-22-19-20-23-28(27)30(32)34-25-26(2)3/h26-28H,4-25H2,1-3H3
- InChI Key
- GQOBGYRNIKOTCX-UHFFFAOYSA-N
- Formula
- C30H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C1CCCC
C1C(=O)OCC(C)C - Molecular Weight1
- 480.76
- 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° | -251.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1123.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.42 | kJ/mol | Joback Calculated Property |
| log10WS | -9.28 | Crippen Calculated Property | |
| logPoct/wat | 8.797 | Crippen Calculated Property | |
| McVol | 437.580 | ml/mol | McGowan Calculated Property |
| Pc | 683.14 | kPa | Joback Calculated Property |
| Inp | [3354.00; 3354.00] |
|
|
| Inp | 3354.00 | NIST | |
| Inp | 3354.00 | NIST | |
| Tboil | 1052.82 | K | Joback Calculated Property |
| Tc | 1301.97 | K | Joback Calculated Property |
| Tfus | 560.32 | K | Joback Calculated Property |
| Vc | 1.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1604.69; 1694.33] | J/mol×K | [1052.82; 1301.97] |
|
| Cp,gas | 1604.69 | J/mol×K | 1052.82 | Joback Calculated Property |
| Cp,gas | 1625.59 | J/mol×K | 1094.35 | Joback Calculated Property |
| Cp,gas | 1643.99 | J/mol×K | 1135.87 | Joback Calculated Property |
| Cp,gas | 1659.98 | J/mol×K | 1177.40 | Joback Calculated Property |
| Cp,gas | 1673.65 | J/mol×K | 1218.92 | Joback Calculated Property |
| Cp,gas | 1685.07 | J/mol×K | 1260.45 | Joback Calculated Property |
| Cp,gas | 1694.33 | J/mol×K | 1301.97 | Joback Calculated Property |
| η | [0.0000145; 0.0003411] | Pa×s | [560.32; 1052.82] |
|
| η | 0.0003411 | Pa×s | 560.32 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 642.40 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 724.49 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 806.57 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 888.65 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 970.74 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 1052.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl octadecyl ester.
Sources
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