- InChI
- InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-25,27,29H,8-19H2,1-7H3/t21-,23+,24?,25-,27?,29?,30-,31+/m1/s1
- InChI Key
- OBDWLCLHGLNWSF-CTXIAVCRSA-N
- Formula
- C31H52O2
- SMILES
-
CCC(CCC(C)C1CCC2=C3CCC4CC(OC(C
)=O)CCC4(C)C3CCC21C)C(C)C - Molecular Weight1
- 456.74
- Other Names
-
- 8(14)-Stigmastenol acetate, 24-«alpha»
- 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 | 0.7068 | Relay (... Calculated Property | |
| ΔfG° | 135.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.96 | kJ/mol | Relay (... Calculated Property |
| IE | 7.93 | eV | Relay (... Calculated Property |
| log10WS | -7.43 | Relay (... Calculated Property | |
| logPoct/wat | 8.740 | Crippen Calculated Property | |
| McVol | 407.350 | ml/mol | McGowan Calculated Property |
| Pc | 840.65 | kPa | Joback Calculated Property |
| Inp | [3360.00; 3362.00] |
|
|
| Inp | 3362.00 | NIST | |
| Inp | 3360.00 | NIST | |
| Tboil | 704.55 | K | Relay (... Calculated Property |
| Tc | 981.78 | K | Relay (... Calculated Property |
| Tfus | 374.82 | K | Relay (... Calculated Property |
| Vc | 1.447 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1575.08; 1811.45] | J/mol×K | [1032.22; 1267.20] |
|
| Cp,gas | 1575.08 | J/mol×K | 1032.22 | Joback Calculated Property |
| Cp,gas | 1610.74 | J/mol×K | 1071.38 | Joback Calculated Property |
| Cp,gas | 1647.40 | J/mol×K | 1110.55 | Joback Calculated Property |
| Cp,gas | 1685.43 | J/mol×K | 1149.71 | Joback Calculated Property |
| Cp,gas | 1725.20 | J/mol×K | 1188.87 | Joback Calculated Property |
| Cp,gas | 1767.08 | J/mol×K | 1228.03 | Joback Calculated Property |
| Cp,gas | 1811.45 | J/mol×K | 1267.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8(14)-Stigmastenol acetate, 24-«beta».
Sources
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