- InChI
- InChI=1S/C29H50O/c1-18(2)19(3)16-20(4)21(5)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18-21,23-27,30H,9-17H2,1-7H3/t19-,20+,21?,23-,24?,25?,26?,27?,28-,29+/m1/s1
- InChI Key
- LJDGIGXEJOAQTK-SPTINKTBSA-N
- Formula
- C29H50O
- SMILES
-
CC(C)C(C)CC(C)C(C)C1CCC2C3CC=C
4CC(O)CCC4(C)C3CCC12C - Molecular Weight1
- 414.71
- 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° | 215.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.51 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 7.881 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 963.87 | kPa | Joback Calculated Property |
| Inp | 4937.00 | NIST | |
| Tboil | 992.26 | K | Joback Calculated Property |
| Tc | 1219.04 | K | Joback Calculated Property |
| Tfus | 519.93 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.70; 1675.01] | J/mol×K | [992.26; 1219.04] | 
|
| Cp,gas | 1457.70 | J/mol×K | 992.26 | Joback Calculated Property |
| Cp,gas | 1490.80 | J/mol×K | 1030.06 | Joback Calculated Property |
| Cp,gas | 1524.69 | J/mol×K | 1067.85 | Joback Calculated Property |
| Cp,gas | 1559.70 | J/mol×K | 1105.65 | Joback Calculated Property |
| Cp,gas | 1596.19 | J/mol×K | 1143.45 | Joback Calculated Property |
| Cp,gas | 1634.51 | J/mol×K | 1181.25 | Joback Calculated Property |
| Cp,gas | 1675.01 | J/mol×K | 1219.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (22R,24S)-22,24-Dimethylcholesterol.
Sources
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