- InChI
- InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25,27,30H,7-18H2,1-6H3/t20?,21?,22-,23-,25+,27?,28-,29+/m1/s1
- InChI Key
- YQQOGXLLGWWKQH-NMCSWPPBSA-N
- Formula
- C29H50O
- SMILES
-
CCC(CCC(C)C1CCC2=C3CCC4CC(O)CC
C4(C)C3CCC21C)C(C)C - Molecular Weight1
- 414.71
- CAS
- 78340-86-0
- 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° | 215.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.84 | Crippen Calculated Property | |
| logPoct/wat | 8.169 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 969.88 | kPa | Joback Calculated Property |
| Inp | 3300.00 | NIST | |
| Tboil | 1002.35 | K | Joback Calculated Property |
| Tc | 1229.83 | K | Joback Calculated Property |
| Tfus | 551.69 | K | Joback Calculated Property |
| Vc | 1.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1456.25; 1678.71] | J/mol×K | [1002.35; 1229.83] | 
|
| Cp,gas | 1456.25 | J/mol×K | 1002.35 | Joback Calculated Property |
| Cp,gas | 1489.75 | J/mol×K | 1040.26 | Joback Calculated Property |
| Cp,gas | 1524.21 | J/mol×K | 1078.18 | Joback Calculated Property |
| Cp,gas | 1559.99 | J/mol×K | 1116.09 | Joback Calculated Property |
| Cp,gas | 1597.42 | J/mol×K | 1154.00 | Joback Calculated Property |
| Cp,gas | 1636.88 | J/mol×K | 1191.91 | Joback Calculated Property |
| Cp,gas | 1678.71 | J/mol×K | 1229.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Ethyl-5-«alpha»-cholest-8(14)-en-3-«beta»-ol.
Sources
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