- InChI
- InChI=1S/C28H50/c1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23?,24?,25?,26?,27+,28+/m0/s1
- InChI Key
- WAAWMJYYKITCGF-FJLMKSFNSA-N
- Formula
- C28H50
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CCC4CCC
CC4(C)C3CCC12C - Molecular Weight1
- 386.70
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5611 | Relay (... Calculated Property | |
| ΔfG° | 325.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -8.80 | Relay (... Calculated Property | |
| logPoct/wat | 8.744 | Crippen Calculated Property | |
| McVol | 361.940 | ml/mol | McGowan Calculated Property |
| Pc | 949.08 | kPa | Joback Calculated Property |
| Inp | [2909.00; 2909.00] |
|
|
| Inp | 2909.00 | NIST | |
| Inp | 2909.00 | NIST | |
| Tboil | 677.11 | K | Relay (... Calculated Property |
| Tc | 938.92 | K | Relay (... Calculated Property |
| Tfus | 360.38 | K | Relay (... Calculated Property |
| Vc | 1.311 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.06; 1514.07] | J/mol×K | [873.50; 1096.28] |
|
| Cp,gas | 1319.06 | J/mol×K | 873.50 | Joback Calculated Property |
| Cp,gas | 1351.20 | J/mol×K | 910.63 | Joback Calculated Property |
| Cp,gas | 1383.04 | J/mol×K | 947.76 | Joback Calculated Property |
| Cp,gas | 1414.91 | J/mol×K | 984.89 | Joback Calculated Property |
| Cp,gas | 1447.16 | J/mol×K | 1022.02 | Joback Calculated Property |
| Cp,gas | 1480.10 | J/mol×K | 1059.15 | Joback Calculated Property |
| Cp,gas | 1514.07 | J/mol×K | 1096.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C28 5A,14B,17B,20R-Sterane.
Sources
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