- InChI
- InChI=1S/C26H40O2/c1-6-7-17(2)22-10-11-23-21-9-8-19-16-20(28-18(3)27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17,20-24H,9-16H2,1-5H3/b7-6+/t17?,20-,21?,22+,23?,24?,25-,26+/m1/s1
- InChI Key
- JIBKZRVQNXWAED-SBFOJMOBSA-N
- Formula
- C26H40O2
- SMILES
-
CC=CC(C)C1CCC2C3CC=C4CC(OC(C)=
O)CCC4(C)C3CCC12C - Molecular Weight1
- 384.59
- 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 | 0.5299 | Relay (1.0) Calculated Property | |
| ΔfG° | 180.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.709 | Crippen Calculated Property | |
| McVol | 332.600 | ml/mol | McGowan Calculated Property |
| Pc | 1148.32 | kPa | Joback Calculated Property |
| Inp | 3026.00 | NIST | |
| Tboil | 658.82 | K | Relay (1.0) Calculated Property |
| Tc | 930.13 | K | Relay (1.0) Calculated Property |
| Tfus | 403.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.77; 1389.27] | J/mol×K | [913.21; 1146.78] | 
|
| Cp,gas | 1199.77 | J/mol×K | 913.21 | Joback Calculated Property |
| Cp,gas | 1229.42 | J/mol×K | 952.14 | Joback Calculated Property |
| Cp,gas | 1259.36 | J/mol×K | 991.07 | Joback Calculated Property |
| Cp,gas | 1289.95 | J/mol×K | 1029.99 | Joback Calculated Property |
| Cp,gas | 1321.56 | J/mol×K | 1068.92 | Joback Calculated Property |
| Cp,gas | 1354.55 | J/mol×K | 1107.85 | Joback Calculated Property |
| Cp,gas | 1389.27 | J/mol×K | 1146.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Nor-5,22-cholestadienol (E) acetate.
Sources
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