- InChI
- InChI=1S/C31H50O2/c1-19(2)22(5)20(3)17-21(4)27-11-12-28-26-10-9-24-18-25(33-23(6)32)13-15-30(24,7)29(26)14-16-31(27,28)8/h10,17,19,21-22,24-25,27-29H,9,11-16,18H2,1-8H3/b20-17+/t21-,22?,24?,25-,27?,28?,29?,30-,31+/m1/s1
- InChI Key
- NPUGDXSEMAMVQH-SEQDCLFOSA-N
- Formula
- C31H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C(CC=C3C2CCC2(
C)C3CCC2C(C)C=C(C)C(C)C(C)C)C1 - Molecular Weight1
- 454.73
- 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° | 209.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.88 | Crippen Calculated Property | |
| logPoct/wat | 8.372 | Crippen Calculated Property | |
| McVol | 403.050 | ml/mol | McGowan Calculated Property |
| Pc | 859.99 | kPa | Joback Calculated Property |
| Inp | 3341.00 | NIST | |
| Tboil | 1026.61 | K | Joback Calculated Property |
| Tc | 1264.27 | K | Joback Calculated Property |
| Tfus | 549.77 | K | Joback Calculated Property |
| Vc | 1.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1548.78; 1789.24] | J/mol×K | [1026.61; 1264.27] | 
|
| Cp,gas | 1548.78 | J/mol×K | 1026.61 | Joback Calculated Property |
| Cp,gas | 1584.71 | J/mol×K | 1066.22 | Joback Calculated Property |
| Cp,gas | 1621.76 | J/mol×K | 1105.83 | Joback Calculated Property |
| Cp,gas | 1660.33 | J/mol×K | 1145.44 | Joback Calculated Property |
| Cp,gas | 1700.84 | J/mol×K | 1185.05 | Joback Calculated Property |
| Cp,gas | 1743.68 | J/mol×K | 1224.66 | Joback Calculated Property |
| Cp,gas | 1789.24 | J/mol×K | 1264.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 23,24-Dimethyl-7,22-cholestadienol acetate.
Sources
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