- 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/h10,20-21,24-28H,1,8-9,11-18H2,2-7H3/t20?,21-,24-,25?,26?,27?,28?,29-,30+/m1/s1
- InChI Key
- LGWPVSYEGQFZII-GLBIWXSHSA-N
- Formula
- C30H48O2
- SMILES
-
C=C(C)C(C)CCC(C)C1CCC2C3CC=C4C
C(OC(C)=O)CCC4(C)C3CCC12C - Molecular Weight1
- 440.70
- 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° | 210.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.40 | kJ/mol | Joback Calculated Property |
| log10WS | -8.71 | Crippen Calculated Property | |
| logPoct/wat | 8.126 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 900.72 | kPa | Joback Calculated Property |
| Inp | 3260.00 | NIST | |
| Tboil | 996.69 | K | Joback Calculated Property |
| Tc | 1229.29 | K | Joback Calculated Property |
| Tfus | 556.82 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1472.17; 1691.54] | J/mol×K | [996.69; 1229.29] | 
|
| Cp,gas | 1472.17 | J/mol×K | 996.69 | Joback Calculated Property |
| Cp,gas | 1505.66 | J/mol×K | 1035.46 | Joback Calculated Property |
| Cp,gas | 1539.89 | J/mol×K | 1074.22 | Joback Calculated Property |
| Cp,gas | 1575.24 | J/mol×K | 1112.99 | Joback Calculated Property |
| Cp,gas | 1612.05 | J/mol×K | 1151.76 | Joback Calculated Property |
| Cp,gas | 1650.70 | J/mol×K | 1190.52 | Joback Calculated Property |
| Cp,gas | 1691.54 | J/mol×K | 1229.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,25-Ergostadienol acetate.
Sources
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