- 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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m0/s1
- InChI Key
- OSELKOCHBMDKEJ-XHJXRJPQSA-N
- Formula
- C29H48O
- SMILES
-
CC=C(CCC(C)C1CCC2C3CC=C4CC(O)C
CC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 412.69
- CAS
- 481-14-1
- Other Names
-
- Stigmasta-5,24(28)-dien-3«beta»-ol, (Z)-
- (Z)-Stigmasta-5,24(28)-dien-3«beta»-ol
- (Z)-24-Ethylidenecholesterol
- Isofucosterol
- 29-Isofucosterol
- (24Z)-Ethylidenecholesterol
- 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° | 291.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.33 | kJ/mol | Joback Calculated Property |
| log10WS | -8.69 | Crippen Calculated Property | |
| logPoct/wat | 7.945 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 988.88 | kPa | Joback Calculated Property |
| Inp | [3315.00; 3343.40] |
|
|
| Inp | 3315.00 | NIST | |
| Inp | 3343.40 | NIST | |
| Tboil | 997.18 | K | Joback Calculated Property |
| Tc | 1225.65 | K | Joback Calculated Property |
| Tfus | 530.89 | K | Joback Calculated Property |
| Vc | 1.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1430.05; 1654.44] | J/mol×K | [997.18; 1225.65] |
|
| Cp,gas | 1430.05 | J/mol×K | 997.18 | Joback Calculated Property |
| Cp,gas | 1463.55 | J/mol×K | 1035.26 | Joback Calculated Property |
| Cp,gas | 1498.11 | J/mol×K | 1073.34 | Joback Calculated Property |
| Cp,gas | 1534.10 | J/mol×K | 1111.42 | Joback Calculated Property |
| Cp,gas | 1571.91 | J/mol×K | 1149.49 | Joback Calculated Property |
| Cp,gas | 1611.89 | J/mol×K | 1187.57 | Joback Calculated Property |
| Cp,gas | 1654.44 | J/mol×K | 1225.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stigmasta-5,24(28)-dien-3-ol, (3«beta»,24Z)-.
Sources
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