- InChI
- InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11+
- InChI Key
- NGUVUCVJXSBIEN-VAWYXSNFSA-N
- Formula
- C29H46
- SMILES
-
CCC(C=CC(C)C1CCC2C3CC=C4C=CCCC
4(C)C3CCC12C)C(C)C - Molecular Weight1
- 394.68
- Other Names
-
- 24-ethyl-«delta»3,5,22-Cholestatriene
- 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 | 0.4833 | Relay (1.0) Calculated Property | |
| ΔfG° | 472.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.606 | Crippen Calculated Property | |
| McVol | 363.130 | ml/mol | McGowan Calculated Property |
| Pc | 976.56 | kPa | Joback Calculated Property |
| Inp | [2981.00; 2990.00] |
|
|
| Inp | 2990.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Inp | 2990.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 662.69 | K | Relay (1.0) Calculated Property |
| Tc | 922.27 | K | Relay (1.0) Calculated Property |
| Tfus | 403.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.266 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1300.72; 1503.03] | J/mol×K | [908.51; 1138.78] |
|
| Cp,gas | 1300.72 | J/mol×K | 908.51 | Joback Calculated Property |
| Cp,gas | 1332.33 | J/mol×K | 946.89 | Joback Calculated Property |
| Cp,gas | 1364.26 | J/mol×K | 985.27 | Joback Calculated Property |
| Cp,gas | 1396.90 | J/mol×K | 1023.65 | Joback Calculated Property |
| Cp,gas | 1430.65 | J/mol×K | 1062.03 | Joback Calculated Property |
| Cp,gas | 1465.90 | J/mol×K | 1100.40 | Joback Calculated Property |
| Cp,gas | 1503.03 | J/mol×K | 1138.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Stigmastan-3,5,22-trien.
Sources
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