- InChI
- InChI=1S/C26H42O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h18,20-23H,4-17H2,1-3H3/t18-,20?,21?,22?,23-,25+,26+/m0/s1
- InChI Key
- DDYHAKNCTGGYOK-FPFLBTHASA-N
- Formula
- C26H42O3
- SMILES
-
CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)
CCC4(C)C3CCC12C - Molecular Weight1
- 402.61
- 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° | -40.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.16 | kJ/mol | Joback Calculated Property |
| log10WS | -7.09 | Crippen Calculated Property | |
| logPoct/wat | 6.480 | Crippen Calculated Property | |
| McVol | 342.770 | ml/mol | McGowan Calculated Property |
| Pc | 1113.34 | kPa | Joback Calculated Property |
| Inp | 3003.52 | NIST | |
| Tboil | 973.17 | K | Joback Calculated Property |
| Tc | 1207.14 | K | Joback Calculated Property |
| Tfus | 612.40 | K | Joback Calculated Property |
| Vc | 1.304 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1308.77; 1503.80] | J/mol×K | [973.17; 1207.14] | 
|
| Cp,gas | 1308.77 | J/mol×K | 973.17 | Joback Calculated Property |
| Cp,gas | 1339.40 | J/mol×K | 1012.17 | Joback Calculated Property |
| Cp,gas | 1370.37 | J/mol×K | 1051.16 | Joback Calculated Property |
| Cp,gas | 1401.98 | J/mol×K | 1090.16 | Joback Calculated Property |
| Cp,gas | 1434.54 | J/mol×K | 1129.15 | Joback Calculated Property |
| Cp,gas | 1468.38 | J/mol×K | 1168.15 | Joback Calculated Property |
| Cp,gas | 1503.80 | J/mol×K | 1207.14 | Joback Calculated Property |
Similar Compounds
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Sources
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