- InChI
- InChI=1S/C29H46O/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/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m1/s1
- InChI Key
- ZTJFINKUHDHOSM-BASBAMEESA-N
- Formula
- C29H46O
- SMILES
-
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC
(O)CCC4(C)C3CCC12C)CC - Molecular Weight1
- 410.67
- 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° | 379.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.66 | kJ/mol | Joback Calculated Property |
| log10WS | -8.54 | Crippen Calculated Property | |
| logPoct/wat | 7.721 | Crippen Calculated Property | |
| McVol | 369.000 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | [3235.00; 3235.00] |
|
|
| Inp | 3235.00 | NIST | |
| Inp | 3235.00 | NIST | |
| Tboil | 993.86 | K | Joback Calculated Property |
| Tc | 1223.19 | K | Joback Calculated Property |
| Tfus | 529.13 | K | Joback Calculated Property |
| Vc | 1.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1398.74; 1621.70] | J/mol×K | [993.86; 1223.19] |
|
| Cp,gas | 1398.74 | J/mol×K | 993.86 | Joback Calculated Property |
| Cp,gas | 1431.80 | J/mol×K | 1032.08 | Joback Calculated Property |
| Cp,gas | 1465.99 | J/mol×K | 1070.30 | Joback Calculated Property |
| Cp,gas | 1501.69 | J/mol×K | 1108.52 | Joback Calculated Property |
| Cp,gas | 1539.28 | J/mol×K | 1146.75 | Joback Calculated Property |
| Cp,gas | 1579.16 | J/mol×K | 1184.97 | Joback Calculated Property |
| Cp,gas | 1621.70 | J/mol×K | 1223.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Ethylcholesta-5,22,25-trien-3-«beta»-ol.
Sources
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