- InChI
- InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-34-30(32)23-17-16-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h28-29H,5-27H2,1-4H3
- InChI Key
- JEUHFJUUSQVIJD-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCC(=O)
OCCC(C)CCCC(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° | -262.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1183.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.14 | 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 | 598.97 | kPa | Joback Calculated Property |
| Inp | [3356.00; 3356.00] |
|
|
| Inp | 3356.00 | NIST | |
| Inp | 3356.00 | NIST | |
| Tboil | 1060.38 | K | Joback Calculated Property |
| Tc | 1335.48 | K | Joback Calculated Property |
| Tfus | 553.45 | K | Joback Calculated Property |
| Vc | 1.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1671.19; 1778.86] | J/mol×K | [1060.38; 1335.48] |
|
| Cp,gas | 1671.19 | J/mol×K | 1060.38 | Joback Calculated Property |
| Cp,gas | 1695.52 | J/mol×K | 1106.23 | Joback Calculated Property |
| Cp,gas | 1717.12 | J/mol×K | 1152.08 | Joback Calculated Property |
| Cp,gas | 1736.12 | J/mol×K | 1197.93 | Joback Calculated Property |
| Cp,gas | 1752.66 | J/mol×K | 1243.78 | Joback Calculated Property |
| Cp,gas | 1766.86 | J/mol×K | 1289.63 | Joback Calculated Property |
| Cp,gas | 1778.86 | J/mol×K | 1335.48 | Joback Calculated Property |
| η | [0.0000080; 0.0002633] | Pa×s | [553.45; 1060.38] |
|
| η | 0.0002633 | Pa×s | 553.45 | Joback Calculated Property |
| η | 0.0001001 | Pa×s | 637.94 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 722.43 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 806.91 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 891.40 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 975.89 | Joback Calculated Property |
| η | 0.0000080 | Pa×s | 1060.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl tetradecyl ester.
Sources
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