- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3508 | Relay (1.0) Calculated Property | |
| ΔfG° | -415.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1311.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.577 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 575.63 | kPa | Joback Calculated Property |
| Inp | [3356.00; 3356.00] |
|
|
| Inp | 3356.00 | NIST | |
| Inp | 3356.00 | NIST | |
| Tboil | 686.10 | K | Relay (1.0) Calculated Property |
| Tc | 856.02 | K | Relay (1.0) Calculated Property |
| Tfus | 280.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.766 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1650.63; 1756.60] | J/mol×K | [1024.44; 1283.96] |
|
| Cp,gas | 1650.63 | J/mol×K | 1024.44 | Joback Calculated Property |
| Cp,gas | 1674.47 | J/mol×K | 1067.69 | Joback Calculated Property |
| Cp,gas | 1695.69 | J/mol×K | 1110.95 | Joback Calculated Property |
| Cp,gas | 1714.39 | J/mol×K | 1154.20 | Joback Calculated Property |
| Cp,gas | 1730.70 | J/mol×K | 1197.46 | Joback Calculated Property |
| Cp,gas | 1744.73 | J/mol×K | 1240.71 | Joback Calculated Property |
| Cp,gas | 1756.60 | J/mol×K | 1283.96 | Joback Calculated Property |
| η | [0.0000060; 0.0004381] | Pa×s | [493.79; 1024.44] |
|
| η | 0.0004381 | Pa×s | 493.79 | Joback Calculated Property |
| η | 0.0001247 | Pa×s | 582.23 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 670.67 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 759.12 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 847.56 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 936.00 | Joback Calculated Property |
| η | 0.0000060 | Pa×s | 1024.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl tetradecyl ester.
Sources
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