- InChI
- InChI=1S/C27H48O4/c1-5-6-7-12-15-22-30-26(28)19-13-10-8-9-11-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h17,21H,5-16,18-20,22-23H2,1-4H3/b25-21+
- InChI Key
- FFZSNJLZBLBMPJ-NJNXFGOHSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)OCC=
C(C)CCC=C(C)C - Molecular Weight1
- 436.67
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1122 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1064.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.857 | Crippen Calculated Property | |
| McVol | 397.570 | ml/mol | McGowan Calculated Property |
| Pc | 769.89 | kPa | Joback Calculated Property |
| Inp | [3050.00; 3050.00] |
|
|
| Inp | 3050.00 | NIST | |
| Inp | 3050.00 | NIST | |
| Tboil | 663.52 | K | Relay (1.0) Calculated Property |
| Tc | 835.88 | K | Relay (1.0) Calculated Property |
| Tfus | 271.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.09; 1458.42] | J/mol×K | [977.82; 1201.42] |
|
| Cp,gas | 1353.09 | J/mol×K | 977.82 | Joback Calculated Property |
| Cp,gas | 1373.85 | J/mol×K | 1015.09 | Joback Calculated Property |
| Cp,gas | 1393.20 | J/mol×K | 1052.35 | Joback Calculated Property |
| Cp,gas | 1411.25 | J/mol×K | 1089.62 | Joback Calculated Property |
| Cp,gas | 1428.08 | J/mol×K | 1126.88 | Joback Calculated Property |
| Cp,gas | 1443.77 | J/mol×K | 1164.15 | Joback Calculated Property |
| Cp,gas | 1458.42 | J/mol×K | 1201.42 | Joback Calculated Property |
Similar Compounds
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Sources
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