- InChI
- InChI=1S/C30H50O4/c1-25(2)15-13-17-27(5)21-23-33-29(31)19-11-9-7-8-10-12-20-30(32)34-24-22-28(6)18-14-16-26(3)4/h15-16,21-22H,7-14,17-20,23-24H2,1-6H3/b27-21+,28-22+
- InChI Key
- ZIACLYHJEXVRCW-GPAWKIAZSA-N
- Formula
- C30H50O4
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)CCCCCCCC
C(=O)OCC=C(C)CCC=C(C)C - Molecular Weight1
- 474.72
- 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 | 1.0566 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1017.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.579 | Crippen Calculated Property | |
| McVol | 431.240 | ml/mol | McGowan Calculated Property |
| Pc | 700.61 | kPa | Joback Calculated Property |
| Inp | 3345.00 | NIST | |
| Tboil | 680.30 | K | Relay (1.0) Calculated Property |
| Tc | 857.68 | K | Relay (1.0) Calculated Property |
| Tfus | 277.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1490.66; 1612.34] | J/mol×K | [1054.54; 1299.93] | 
|
| Cp,gas | 1490.66 | J/mol×K | 1054.54 | Joback Calculated Property |
| Cp,gas | 1513.13 | J/mol×K | 1095.44 | Joback Calculated Property |
| Cp,gas | 1534.50 | J/mol×K | 1136.34 | Joback Calculated Property |
| Cp,gas | 1554.93 | J/mol×K | 1177.24 | Joback Calculated Property |
| Cp,gas | 1574.60 | J/mol×K | 1218.14 | Joback Calculated Property |
| Cp,gas | 1593.68 | J/mol×K | 1259.03 | Joback Calculated Property |
| Cp,gas | 1612.34 | J/mol×K | 1299.93 | Joback Calculated Property |
Similar Compounds
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Sources
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