- InChI
- InChI=1S/C31H50O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h9-10,21,23,26-27H,11-20H2,1-8H3/b10-9+/t21-,23?,26?,27-,29+,30+,31-/m1/s1
- InChI Key
- QBLZWFPDPZVSOO-JHBUWWQPSA-N
- Formula
- C31H50O2
- SMILES
-
CC=CCCC(C)C1CCC2(C)C3=C(CCC12C
)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3 - 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° | 202.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.92 | kJ/mol | Joback Calculated Property |
| log10WS | -9.37 | Crippen Calculated Property | |
| logPoct/wat | 8.660 | Crippen Calculated Property | |
| McVol | 403.050 | ml/mol | McGowan Calculated Property |
| Pc | 887.88 | kPa | Joback Calculated Property |
| Inp | [3278.00; 3278.00] |
|
|
| Inp | 3278.00 | NIST | |
| Inp | 3278.00 | NIST | |
| Tboil | 1033.07 | K | Joback Calculated Property |
| Tc | 1273.05 | K | Joback Calculated Property |
| Tfus | 654.05 | K | Joback Calculated Property |
| Vc | 1.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1574.29; 1942.75] | J/mol×K | [1033.07; 1273.05] |
|
| Cp,gas | 1574.29 | J/mol×K | 1033.07 | Joback Calculated Property |
| Cp,gas | 1623.78 | J/mol×K | 1073.07 | Joback Calculated Property |
| Cp,gas | 1677.19 | J/mol×K | 1113.06 | Joback Calculated Property |
| Cp,gas | 1735.16 | J/mol×K | 1153.06 | Joback Calculated Property |
| Cp,gas | 1798.32 | J/mol×K | 1193.06 | Joback Calculated Property |
| Cp,gas | 1867.31 | J/mol×K | 1233.05 | Joback Calculated Property |
| Cp,gas | 1942.75 | J/mol×K | 1273.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 31-Norlanosterol acetate.
Sources
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