- InChI
- InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-17-20-23-26-34-29(32)24-21-18-15-16-19-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3
- InChI Key
- KQRQQLMMHHHLBA-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OC(C(C)C)C(C)C - Molecular Weight1
- 496.81
- 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° | -265.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1188.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.75 | kJ/mol | Joback Calculated Property |
| log10WS | -10.15 | Crippen Calculated Property | |
| logPoct/wat | 9.575 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 601.32 | kPa | Joback Calculated Property |
| Inp | [3328.00; 3328.00] |
|
|
| Inp | 3328.00 | NIST | |
| Inp | 3328.00 | NIST | |
| Tboil | 1059.94 | K | Joback Calculated Property |
| Tc | 1331.32 | K | Joback Calculated Property |
| Tfus | 538.45 | K | Joback Calculated Property |
| Vc | 1.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1671.35; 1777.20] | J/mol×K | [1059.94; 1331.32] |
|
| Cp,gas | 1671.35 | J/mol×K | 1059.94 | Joback Calculated Property |
| Cp,gas | 1695.27 | J/mol×K | 1105.17 | Joback Calculated Property |
| Cp,gas | 1716.51 | J/mol×K | 1150.40 | Joback Calculated Property |
| Cp,gas | 1735.20 | J/mol×K | 1195.63 | Joback Calculated Property |
| Cp,gas | 1751.46 | J/mol×K | 1240.86 | Joback Calculated Property |
| Cp,gas | 1765.42 | J/mol×K | 1286.09 | Joback Calculated Property |
| Cp,gas | 1777.20 | J/mol×K | 1331.32 | Joback Calculated Property |
| η | [0.0000073; 0.0003028] | Pa×s | [538.45; 1059.94] |
|
| η | 0.0003028 | Pa×s | 538.45 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 625.37 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 712.28 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 799.20 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 886.11 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 973.03 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 1059.94 | Joback Calculated Property |
Similar Compounds
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Sources
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