- InChI
- InChI=1S/C31H58O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-35-31(33)27-25-26-30(32)34-28-23-21-19-17-14-12-10-8-6-4-2/h21,23H,3-20,22,24-29H2,1-2H3/b23-21+
- InChI Key
- BKYYSGYUUSBOQA-XTQSDGFTSA-N
- Formula
- C31H58O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OCC
CCCCCCCCCCCC - Molecular Weight1
- 494.79
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.3476 | Relay (... Calculated Property | |
| ΔfG° | -177.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1211.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 81.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.94 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -8.67 | Relay (... Calculated Property | |
| logPoct/wat | 9.641 | Crippen Calculated Property | |
| McVol | 458.230 | ml/mol | McGowan Calculated Property |
| Pc | 609.66 | kPa | Joback Calculated Property |
| Inp | [3457.00; 3457.00] |
|
|
| Inp | 3457.00 | NIST | |
| Inp | 3457.00 | NIST | |
| Tboil | 688.27 | K | Relay (... Calculated Property |
| Tc | 861.77 | K | Relay (... Calculated Property |
| Tfus | 293.30 | K | Relay (... Calculated Property |
| Vc | 1.745 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1642.56; 1758.45] | J/mol×K | [1065.42; 1343.17] |
|
| Cp,gas | 1642.56 | J/mol×K | 1065.42 | Joback Calculated Property |
| Cp,gas | 1667.34 | J/mol×K | 1111.71 | Joback Calculated Property |
| Cp,gas | 1689.72 | J/mol×K | 1158.00 | Joback Calculated Property |
| Cp,gas | 1709.85 | J/mol×K | 1204.29 | Joback Calculated Property |
| Cp,gas | 1727.91 | J/mol×K | 1250.59 | Joback Calculated Property |
| Cp,gas | 1744.05 | J/mol×K | 1296.88 | Joback Calculated Property |
| Cp,gas | 1758.45 | J/mol×K | 1343.17 | Joback Calculated Property |
| η | [0.0000086; 0.0001934] | Pa×s | [578.37; 1065.42] |
|
| η | 0.0001934 | Pa×s | 578.37 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 659.54 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 740.72 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 821.89 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 903.07 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 984.25 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1065.42 | Joback Calculated Property |
Similar Compounds
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Sources
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