- InChI
- InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-4,9-27H2,1-2H3
- InChI Key
- CUEYBQBFZWMGDC-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CCCCCCC#CCC - Molecular Weight1
- 460.69
- 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° | 131.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 82.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.76 | kJ/mol | Joback Calculated Property |
| log10WS | -9.28 | Crippen Calculated Property | |
| logPoct/wat | 7.531 | Crippen Calculated Property | |
| McVol | 417.150 | ml/mol | McGowan Calculated Property |
| Pc | 775.91 | kPa | Joback Calculated Property |
| Inp | 3471.00 | NIST | |
| Tboil | 1033.50 | K | Joback Calculated Property |
| Tc | 1270.93 | K | Joback Calculated Property |
| Tfus | 773.11 | K | Joback Calculated Property |
| Vc | 1.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1425.97; 1514.97] | J/mol×K | [1033.50; 1270.93] | 
|
| Cp,gas | 1425.97 | J/mol×K | 1033.50 | Joback Calculated Property |
| Cp,gas | 1445.15 | J/mol×K | 1073.07 | Joback Calculated Property |
| Cp,gas | 1462.52 | J/mol×K | 1112.64 | Joback Calculated Property |
| Cp,gas | 1478.12 | J/mol×K | 1152.22 | Joback Calculated Property |
| Cp,gas | 1492.02 | J/mol×K | 1191.79 | Joback Calculated Property |
| Cp,gas | 1504.29 | J/mol×K | 1231.36 | Joback Calculated Property |
| Cp,gas | 1514.97 | J/mol×K | 1270.93 | Joback Calculated Property |
Similar Compounds
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Sources
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