- InChI
- InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20+,21+,22+,23?,24+,25?,26?,27-,28+/m1/s1
- InChI Key
- ARYTXMNEANMLMU-PFNVUSNZSA-N
- Formula
- C28H50O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CCC4CC(
O)CCC4(C)C3CCC12C - 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° | 181.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.41 | kJ/mol | Joback Calculated Property |
| log10WS | -8.08 | Crippen Calculated Property | |
| logPoct/wat | 7.715 | Crippen Calculated Property | |
| McVol | 367.810 | ml/mol | McGowan Calculated Property |
| Pc | 984.55 | kPa | Joback Calculated Property |
| Inp | [3284.00; 3284.00] |
|
|
| Inp | 3284.00 | NIST | |
| Inp | 3284.00 | NIST | |
| Tboil | 961.01 | K | Joback Calculated Property |
| Tc | 1182.70 | K | Joback Calculated Property |
| Tfus | 506.14 | K | Joback Calculated Property |
| Vc | 1.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1419.59; 1623.61] | J/mol×K | [961.01; 1182.70] |
|
| Cp,gas | 1419.59 | J/mol×K | 961.01 | Joback Calculated Property |
| Cp,gas | 1451.53 | J/mol×K | 997.96 | Joback Calculated Property |
| Cp,gas | 1483.87 | J/mol×K | 1034.91 | Joback Calculated Property |
| Cp,gas | 1516.92 | J/mol×K | 1071.86 | Joback Calculated Property |
| Cp,gas | 1551.02 | J/mol×K | 1108.80 | Joback Calculated Property |
| Cp,gas | 1586.47 | J/mol×K | 1145.75 | Joback Calculated Property |
| Cp,gas | 1623.61 | J/mol×K | 1182.70 | Joback Calculated Property |
Similar Compounds
Sources
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