- InChI
- InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-34-29(32)23-20-19-21-24-30(33)35-27-28(2)26-31(3,4)5/h28H,6-27H2,1-5H3
- InChI Key
- IGIISAASZGESIH-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCC(C)CC(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° | -257.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1186.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.23 | kJ/mol | Joback Calculated Property |
| log10WS | -10.04 | Crippen Calculated Property | |
| logPoct/wat | 9.577 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 602.21 | kPa | Joback Calculated Property |
| Inp | [2629.00; 2629.00] |
|
|
| Inp | 2629.00 | NIST | |
| Inp | 2629.00 | NIST | |
| Tboil | 1057.59 | K | Joback Calculated Property |
| Tc | 1325.01 | K | Joback Calculated Property |
| Tfus | 570.87 | K | Joback Calculated Property |
| Vc | 1.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1670.72; 1784.83] | J/mol×K | [1057.59; 1325.01] |
|
| Cp,gas | 1670.72 | J/mol×K | 1057.59 | Joback Calculated Property |
| Cp,gas | 1694.98 | J/mol×K | 1102.16 | Joback Calculated Property |
| Cp,gas | 1716.93 | J/mol×K | 1146.73 | Joback Calculated Property |
| Cp,gas | 1736.73 | J/mol×K | 1191.30 | Joback Calculated Property |
| Cp,gas | 1754.54 | J/mol×K | 1235.87 | Joback Calculated Property |
| Cp,gas | 1770.52 | J/mol×K | 1280.44 | Joback Calculated Property |
| Cp,gas | 1784.83 | J/mol×K | 1325.01 | Joback Calculated Property |
| η | [0.0000066; 0.0002015] | Pa×s | [570.87; 1057.59] |
|
| η | 0.0002015 | Pa×s | 570.87 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 651.99 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 733.11 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 814.23 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 895.35 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 976.47 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 1057.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, hexadecyl 2,4,4-trimethylpentyl ester.
Sources
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