- InChI
- InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,21,24-28H,8-9,11-18H2,1-7H3/t21-,24+,25+,26-,27+,28+,29+,30-/m0/s1
- InChI Key
- LUSJRANTKUMKJQ-XGIAZTPUSA-N
- Formula
- C30H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)CCC(C)=C(C)C)CCC32)C1 - Molecular Weight1
- 440.70
- CAS
- 33444-85-8
- Other Names
-
- Ergosta-5,24-dien-3«beta»-ol, acetate
- 24-Methylcholesta-5,24-dien-3«beta»-yl acetate
- Ergosta-5,24-dien-3-yl acetate, (3«beta»)-
- 5,24-Ergostadienol acetate
- 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° | 197.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.50 | kJ/mol | Joback Calculated Property |
| log10WS | -8.95 | Crippen Calculated Property | |
| logPoct/wat | 8.270 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 904.52 | kPa | Joback Calculated Property |
| Inp | [3323.00; 3323.00] |
|
|
| Inp | 3323.00 | NIST | |
| Inp | 3323.00 | NIST | |
| Tboil | 1004.49 | K | Joback Calculated Property |
| Tc | 1239.37 | K | Joback Calculated Property |
| Tfus | 554.54 | K | Joback Calculated Property |
| Vc | 1.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1476.04; 1704.86] | J/mol×K | [1004.49; 1239.37] |
|
| Cp,gas | 1476.04 | J/mol×K | 1004.49 | Joback Calculated Property |
| Cp,gas | 1510.48 | J/mol×K | 1043.64 | Joback Calculated Property |
| Cp,gas | 1545.88 | J/mol×K | 1082.78 | Joback Calculated Property |
| Cp,gas | 1582.64 | J/mol×K | 1121.93 | Joback Calculated Property |
| Cp,gas | 1621.13 | J/mol×K | 1161.07 | Joback Calculated Property |
| Cp,gas | 1661.74 | J/mol×K | 1200.22 | Joback Calculated Property |
| Cp,gas | 1704.86 | J/mol×K | 1239.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ergosta-5,24-dien-3-ol, acetate, (3«beta»)-.
Sources
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