- InChI
- InChI=1S/C31H50O2/c1-18(2)19(3)25-17-26(25)20(4)27-10-11-28-24-9-8-22-16-23(33-21(5)32)12-14-30(22,6)29(24)13-15-31(27,28)7/h8,18-20,23-29H,9-17H2,1-7H3/t19?,20-,23+,24?,25?,26?,27-,28+,29+,30+,31-/m0/s1
- InChI Key
- XERVJQNPZBDWNL-ITNQQFKJSA-N
- Formula
- C31H50O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)C4CC4C(C)C(C)C)CCC32)C 1 - Molecular Weight1
- 454.73
- 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 | 0.6402 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.061 | Crippen Calculated Property | |
| McVol | 396.490 | ml/mol | McGowan Calculated Property |
| Pc | 880.52 | kPa | Joback Calculated Property |
| Inp | 3369.00 | NIST | |
| Tboil | 689.40 | K | Relay (1.0) Calculated Property |
| Tc | 992.79 | K | Relay (1.0) Calculated Property |
| Tfus | 426.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1564.57; 1807.61] | J/mol×K | [1024.64; 1262.80] | 
|
| Cp,gas | 1564.57 | J/mol×K | 1024.64 | Joback Calculated Property |
| Cp,gas | 1601.00 | J/mol×K | 1064.33 | Joback Calculated Property |
| Cp,gas | 1638.50 | J/mol×K | 1104.03 | Joback Calculated Property |
| Cp,gas | 1677.50 | J/mol×K | 1143.72 | Joback Calculated Property |
| Cp,gas | 1718.41 | J/mol×K | 1183.41 | Joback Calculated Property |
| Cp,gas | 1761.64 | J/mol×K | 1223.11 | Joback Calculated Property |
| Cp,gas | 1807.61 | J/mol×K | 1262.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 23-Demethylgorgosterol acetate.
Sources
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