- InChI
- InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)24-13-14-26-23-11-12-25-21(4)28(32-22(5)31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-21,24-26,28H,8-18H2,1-7H3/t20-,21-,24?,25?,26?,28-,29+,30-/m1/s1
- InChI Key
- HTILMTUGTYOTQK-ZDQOXHSUSA-N
- Formula
- C30H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1C)C
1CCC(C(C)CCCC(C)C)C1(C)CC3 - Molecular Weight1
- 442.72
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6874 | Relay (... Calculated Property | |
| ΔfG° | 122.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.76 | kJ/mol | Relay (... Calculated Property |
| IE | 7.96 | eV | Relay (... Calculated Property |
| log10WS | -7.23 | Relay (... Calculated Property | |
| logPoct/wat | 8.350 | Crippen Calculated Property | |
| McVol | 393.260 | ml/mol | McGowan Calculated Property |
| Pc | 868.11 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 692.72 | K | Relay (... Calculated Property |
| Tc | 963.66 | K | Relay (... Calculated Property |
| Tfus | 384.60 | K | Relay (... Calculated Property |
| Vc | 1.402 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1505.21; 1725.10] | J/mol×K | [1005.11; 1236.26] |
|
| Cp,gas | 1505.21 | J/mol×K | 1005.11 | Joback Calculated Property |
| Cp,gas | 1539.03 | J/mol×K | 1043.64 | Joback Calculated Property |
| Cp,gas | 1573.53 | J/mol×K | 1082.16 | Joback Calculated Property |
| Cp,gas | 1609.04 | J/mol×K | 1120.69 | Joback Calculated Property |
| Cp,gas | 1645.91 | J/mol×K | 1159.21 | Joback Calculated Property |
| Cp,gas | 1684.48 | J/mol×K | 1197.74 | Joback Calculated Property |
| Cp,gas | 1725.10 | J/mol×K | 1236.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4A-Methyl-8-cholestenol acetate.
Sources
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