- InChI
- InChI=1S/C31H60O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-27-34-30(32)24-21-18-15-16-19-22-25-31(33)35-28-26-29(2)3/h29H,4-28H2,1-3H3
- InChI Key
- IRWXJMQXGMKHFP-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC
C(=O)OCCC(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 | 1.3983 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1297.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.721 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 573.43 | kPa | Joback Calculated Property |
| Inp | 3454.00 | NIST | |
| Tboil | 684.29 | K | Relay (1.0) Calculated Property |
| Tc | 856.50 | K | Relay (1.0) Calculated Property |
| Tfus | 301.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.795 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1650.40; 1758.00] | J/mol×K | [1024.88; 1287.84] | 
|
| Cp,gas | 1650.40 | J/mol×K | 1024.88 | Joback Calculated Property |
| Cp,gas | 1674.62 | J/mol×K | 1068.71 | Joback Calculated Property |
| Cp,gas | 1696.16 | J/mol×K | 1112.53 | Joback Calculated Property |
| Cp,gas | 1715.15 | J/mol×K | 1156.36 | Joback Calculated Property |
| Cp,gas | 1731.70 | J/mol×K | 1200.19 | Joback Calculated Property |
| Cp,gas | 1745.95 | J/mol×K | 1244.02 | Joback Calculated Property |
| Cp,gas | 1758.00 | J/mol×K | 1287.84 | Joback Calculated Property |
| η | [0.0000066; 0.0003644] | Pa×s | [508.79; 1024.88] |
|
| η | 0.0003644 | Pa×s | 508.79 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 594.80 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 680.82 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 766.84 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 852.85 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 938.87 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 1024.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, hexadecyl 3-methylbutyl ester.
Sources
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