- InChI
- InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22?,23?,24?,25?,26?,27?,28-,29+/m0/s1
- InChI Key
- GKBHKNPLNHLYHT-DDHIBXBZSA-N
- Formula
- C29H52
- SMILES
-
CCC(CCC(C)C1CCC2C3CCC4CCCCC4(C
)C3CCC12C)C(C)C - Molecular Weight1
- 400.72
- 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° | 334.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Joback Calculated Property |
| log10WS | -9.12 | Crippen Calculated Property | |
| logPoct/wat | 9.134 | Crippen Calculated Property | |
| McVol | 376.030 | ml/mol | McGowan Calculated Property |
| Pc | 895.34 | kPa | Joback Calculated Property |
| Inp | 3040.00 | NIST | |
| Tboil | 896.38 | K | Joback Calculated Property |
| Tc | 1117.99 | K | Joback Calculated Property |
| Tfus | 460.83 | K | Joback Calculated Property |
| Vc | 1.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1388.02; 1588.48] | J/mol×K | [896.38; 1117.99] | 
|
| Cp,gas | 1388.02 | J/mol×K | 896.38 | Joback Calculated Property |
| Cp,gas | 1420.71 | J/mol×K | 933.32 | Joback Calculated Property |
| Cp,gas | 1453.24 | J/mol×K | 970.25 | Joback Calculated Property |
| Cp,gas | 1485.96 | J/mol×K | 1007.19 | Joback Calculated Property |
| Cp,gas | 1519.18 | J/mol×K | 1044.12 | Joback Calculated Property |
| Cp,gas | 1553.25 | J/mol×K | 1081.06 | Joback Calculated Property |
| Cp,gas | 1588.48 | J/mol×K | 1117.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C29 5A,14A,17A,20R-Sterane.
Sources
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