- InChI
- InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-13-16-19-23-30-26(28)20-17-14-11-12-15-18-21-27(29)31-24-22-25(2)3/h22H,4-21,23-24H2,1-3H3
- InChI Key
- CDIRWXSCWFTRTI-UHFFFAOYSA-N
- Formula
- C27H50O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)OCC=C(C)C - Molecular Weight1
- 438.68
- 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° | -219.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.05 | kJ/mol | Joback Calculated Property |
| log10WS | -8.70 | Crippen Calculated Property | |
| logPoct/wat | 8.081 | Crippen Calculated Property | |
| McVol | 401.870 | ml/mol | McGowan Calculated Property |
| Pc | 746.11 | kPa | Joback Calculated Property |
| Inp | 3095.00 | NIST | |
| Tboil | 973.78 | K | Joback Calculated Property |
| Tc | 1199.79 | K | Joback Calculated Property |
| Tfus | 519.33 | K | Joback Calculated Property |
| Vc | 1.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.44; 1486.74] | J/mol×K | [973.78; 1199.79] | 
|
| Cp,gas | 1381.44 | J/mol×K | 973.78 | Joback Calculated Property |
| Cp,gas | 1402.78 | J/mol×K | 1011.45 | Joback Calculated Property |
| Cp,gas | 1422.50 | J/mol×K | 1049.12 | Joback Calculated Property |
| Cp,gas | 1440.69 | J/mol×K | 1086.79 | Joback Calculated Property |
| Cp,gas | 1457.41 | J/mol×K | 1124.46 | Joback Calculated Property |
| Cp,gas | 1472.73 | J/mol×K | 1162.13 | Joback Calculated Property |
| Cp,gas | 1486.74 | J/mol×K | 1199.79 | Joback Calculated Property |
Similar Compounds
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Sources
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