- InChI
- InChI=1S/C31H60O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-23-27-34-30(32)25-21-20-22-26-31(33)35-28-29(6-3)24-8-5-2/h29H,4-28H2,1-3H3
- InChI Key
- JJHAJZCADMLIJS-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(=
O)OCC(CC)CCCC - 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° | -260.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1178.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.52 | kJ/mol | Joback Calculated Property |
| log10WS | -10.28 | Crippen Calculated Property | |
| logPoct/wat | 9.721 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 596.63 | kPa | Joback Calculated Property |
| Inp | [3364.00; 3364.00] |
|
|
| Inp | 3364.00 | NIST | |
| Inp | 3364.00 | NIST | |
| Tboil | 1060.82 | K | Joback Calculated Property |
| Tc | 1339.85 | K | Joback Calculated Property |
| Tfus | 568.45 | K | Joback Calculated Property |
| Vc | 1.813 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1671.04; 1780.59] | J/mol×K | [1060.82; 1339.85] |
|
| Cp,gas | 1671.04 | J/mol×K | 1060.82 | Joback Calculated Property |
| Cp,gas | 1695.80 | J/mol×K | 1107.32 | Joback Calculated Property |
| Cp,gas | 1717.77 | J/mol×K | 1153.83 | Joback Calculated Property |
| Cp,gas | 1737.10 | J/mol×K | 1200.33 | Joback Calculated Property |
| Cp,gas | 1753.92 | J/mol×K | 1246.84 | Joback Calculated Property |
| Cp,gas | 1768.37 | J/mol×K | 1293.34 | Joback Calculated Property |
| Cp,gas | 1780.59 | J/mol×K | 1339.85 | Joback Calculated Property |
| η | [0.0000088; 0.0002323] | Pa×s | [568.45; 1060.82] |
|
| η | 0.0002323 | Pa×s | 568.45 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 650.51 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 732.57 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 814.64 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 896.70 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 978.76 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 1060.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2-ethylhexyl hexadecyl ester.
Sources
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