- InChI
- InChI=1S/C29H52O4/c1-5-6-7-8-11-14-17-24-32-28(30)21-15-12-9-10-13-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,23H,5-18,20-22,24-25H2,1-4H3/b27-23+
- InChI Key
- NOOKRYPJQVSZJL-SLEBQGDGSA-N
- Formula
- C29H52O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)OC
C=C(C)CCC=C(C)C - Molecular Weight1
- 464.72
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -131.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.54 | kJ/mol | Joback Calculated Property |
| log10WS | -9.39 | Crippen Calculated Property | |
| logPoct/wat | 8.637 | Crippen Calculated Property | |
| McVol | 425.750 | ml/mol | McGowan Calculated Property |
| Pc | 693.98 | kPa | Joback Calculated Property |
| Inp | 3248.00 | NIST | |
| Tboil | 1023.58 | K | Joback Calculated Property |
| Tc | 1266.21 | K | Joback Calculated Property |
| Tfus | 522.83 | K | Joback Calculated Property |
| Vc | 1.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1482.57; 1594.29] | J/mol×K | [1023.58; 1266.21] | 
|
| Cp,gas | 1482.57 | J/mol×K | 1023.58 | Joback Calculated Property |
| Cp,gas | 1504.83 | J/mol×K | 1064.02 | Joback Calculated Property |
| Cp,gas | 1525.47 | J/mol×K | 1104.46 | Joback Calculated Property |
| Cp,gas | 1544.62 | J/mol×K | 1144.90 | Joback Calculated Property |
| Cp,gas | 1562.39 | J/mol×K | 1185.34 | Joback Calculated Property |
| Cp,gas | 1578.90 | J/mol×K | 1225.77 | Joback Calculated Property |
| Cp,gas | 1594.29 | J/mol×K | 1266.21 | Joback Calculated Property |
Similar Compounds
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Sources
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