- InChI
- InChI=1S/C31H56O4/c1-5-6-7-8-9-10-13-16-19-26-34-30(32)23-17-14-11-12-15-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,25H,5-20,22-24,26-27H2,1-4H3/b29-25+
- InChI Key
- SHJCZEHSBOFEON-XLVZBRSZSA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
OCC=C(C)CCC=C(C)C - Molecular Weight1
- 492.77
- 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° | -114.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -957.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.99 | kJ/mol | Joback Calculated Property |
| log10WS | -10.23 | Crippen Calculated Property | |
| logPoct/wat | 9.417 | Crippen Calculated Property | |
| McVol | 453.930 | ml/mol | McGowan Calculated Property |
| Pc | 628.77 | kPa | Joback Calculated Property |
| Inp | [3455.00; 3455.00] |
|
|
| Inp | 3455.00 | NIST | |
| Inp | 3455.00 | NIST | |
| Tboil | 1069.34 | K | Joback Calculated Property |
| Tc | 1336.66 | K | Joback Calculated Property |
| Tfus | 545.37 | K | Joback Calculated Property |
| Vc | 1.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1613.68; 1733.34] | J/mol×K | [1069.34; 1336.66] |
|
| Cp,gas | 1613.68 | J/mol×K | 1069.34 | Joback Calculated Property |
| Cp,gas | 1637.79 | J/mol×K | 1113.89 | Joback Calculated Property |
| Cp,gas | 1659.99 | J/mol×K | 1158.45 | Joback Calculated Property |
| Cp,gas | 1680.48 | J/mol×K | 1203.00 | Joback Calculated Property |
| Cp,gas | 1699.41 | J/mol×K | 1247.55 | Joback Calculated Property |
| Cp,gas | 1716.98 | J/mol×K | 1292.11 | Joback Calculated Property |
| Cp,gas | 1733.34 | J/mol×K | 1336.66 | Joback Calculated Property |
Similar Compounds
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Sources
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