- InChI
- InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3
- InChI Key
- CMQUSRGUOMCHOZ-UHFFFAOYSA-N
- Formula
- C29H48O
- SMILES
-
C=C(C)C(CC)CCC(C)C1CCC2C3=CCC4
CC(O)CCC4(C)C3CCC21C - Molecular Weight1
- 412.69
- CAS
- 6785-58-6
- Other Names
-
- 5«alpha»-Stigmasta-7,25-dien-3«beta»-ol
- «delta»7,25-Stigmastadienol
- 24-Ethyl-5-«alpha»-cholest-7,25-dien-3-«beta»-ol
- 24«beta»-Ethyl-5«alpha»-cholesta-7,25-dien-3«beta»-ol
- Stigmasta-7,25(27)-dien-3-ol, (3«beta»,5«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 | 0.7010 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.945 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 982.69 | kPa | Joback Calculated Property |
| Inp | 3325.00 | NIST | |
| Tboil | 719.58 | K | Relay (1.0) Calculated Property |
| Tc | 984.28 | K | Relay (1.0) Calculated Property |
| Tfus | 403.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.320 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1425.71; 1641.95] | J/mol×K | [989.70; 1215.93] | 
|
| Cp,gas | 1425.71 | J/mol×K | 989.70 | Joback Calculated Property |
| Cp,gas | 1458.39 | J/mol×K | 1027.41 | Joback Calculated Property |
| Cp,gas | 1491.94 | J/mol×K | 1065.11 | Joback Calculated Property |
| Cp,gas | 1526.71 | J/mol×K | 1102.82 | Joback Calculated Property |
| Cp,gas | 1563.07 | J/mol×K | 1140.52 | Joback Calculated Property |
| Cp,gas | 1601.37 | J/mol×K | 1178.23 | Joback Calculated Property |
| Cp,gas | 1641.95 | J/mol×K | 1215.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stigmasta-7,25-dien-3-ol, (3«beta»,5«alpha»)-.
Sources
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