- InChI
- InChI=1S/C28H50O/c1-20(10-8-11-22(3)29)12-14-23-21(2)13-15-25-27(23,6)19-16-24-26(4,5)17-9-18-28(24,25)7/h20-21,23-25H,8-19H2,1-7H3/t20-,21-,23+,24?,25?,27+,28+/m1/s1
- InChI Key
- DJTIKPPBMWKDMJ-MMFNPOGVSA-N
- Formula
- C28H50O
- SMILES
-
CC(=O)CCCC(C)CCC1C(C)CCC2C1(C)
CCC1C(C)(C)CCCC12C - Molecular Weight1
- 402.70
- 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° | 127.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.19 | kJ/mol | Joback Calculated Property |
| log10WS | -8.57 | Crippen Calculated Property | |
| logPoct/wat | 8.457 | Crippen Calculated Property | |
| McVol | 374.370 | ml/mol | McGowan Calculated Property |
| Pc | 908.89 | kPa | Joback Calculated Property |
| Inp | 3050.00 | NIST | |
| Tboil | 917.08 | K | Joback Calculated Property |
| Tc | 1137.68 | K | Joback Calculated Property |
| Tfus | 531.21 | K | Joback Calculated Property |
| Vc | 1.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1372.45; 1594.57] | J/mol×K | [917.08; 1137.68] | 
|
| Cp,gas | 1372.45 | J/mol×K | 917.08 | Joback Calculated Property |
| Cp,gas | 1406.44 | J/mol×K | 953.85 | Joback Calculated Property |
| Cp,gas | 1441.15 | J/mol×K | 990.61 | Joback Calculated Property |
| Cp,gas | 1476.94 | J/mol×K | 1027.38 | Joback Calculated Property |
| Cp,gas | 1514.20 | J/mol×K | 1064.15 | Joback Calculated Property |
| Cp,gas | 1553.28 | J/mol×K | 1100.92 | Joback Calculated Property |
| Cp,gas | 1594.57 | J/mol×K | 1137.68 | Joback Calculated Property |
Similar Compounds
Sources
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