- InChI
- InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-27-35-31(33)24-18-17-19-25-32(34)36-28-26-30(4)23-21-22-29(2)3/h29-30H,5-28H2,1-4H3
- InChI Key
- UIVABDXXDHNJBQ-UHFFFAOYSA-N
- Formula
- C32H62O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCC(=O
)OCCC(C)CCCC(C)C - Molecular Weight1
- 510.83
- 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 | 1.3859 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1332.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.967 | Crippen Calculated Property | |
| McVol | 476.620 | ml/mol | McGowan Calculated Property |
| Pc | 550.00 | kPa | Joback Calculated Property |
| Inp | [3458.00; 3458.00] |
|
|
| Inp | 3458.00 | NIST | |
| Inp | 3458.00 | NIST | |
| Tboil | 692.54 | K | Relay (1.0) Calculated Property |
| Tc | 862.23 | K | Relay (1.0) Calculated Property |
| Tfus | 283.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.821 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1716.16; 1822.42] | J/mol×K | [1047.32; 1321.85] |
|
| Cp,gas | 1716.16 | J/mol×K | 1047.32 | Joback Calculated Property |
| Cp,gas | 1740.71 | J/mol×K | 1093.07 | Joback Calculated Property |
| Cp,gas | 1762.33 | J/mol×K | 1138.83 | Joback Calculated Property |
| Cp,gas | 1781.16 | J/mol×K | 1184.58 | Joback Calculated Property |
| Cp,gas | 1797.36 | J/mol×K | 1230.34 | Joback Calculated Property |
| Cp,gas | 1811.06 | J/mol×K | 1276.09 | Joback Calculated Property |
| Cp,gas | 1822.42 | J/mol×K | 1321.85 | Joback Calculated Property |
| η | [0.0000051; 0.0003699] | Pa×s | [505.06; 1047.32] |
|
| η | 0.0003699 | Pa×s | 505.06 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 595.44 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 685.81 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 776.19 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 866.57 | Joback Calculated Property |
| η | 0.0000074 | Pa×s | 956.94 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 1047.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl pentadecyl ester.
Sources
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