- InChI
- InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3
- InChI Key
- BDHQMRXFDYJGII-UHFFFAOYSA-N
- Formula
- C31H52O
- SMILES
-
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)(
C)C(O)CCC45CC35CCC12C)C(C)C - Molecular Weight1
- 440.74
- CAS
- 1449-09-8
- Other Names
-
- 9,19-Cyclo-9«beta»-lanostan-3«beta»-ol, 24-methylene-
- 24-Methylenecycloartanol
- 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 | 0.6799 | Relay (1.0) Calculated Property | |
| ΔfG° | 356.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.415 | Crippen Calculated Property | |
| McVol | 394.920 | ml/mol | McGowan Calculated Property |
| Pc | 963.87 | kPa | Joback Calculated Property |
| Inp | [3108.00; 3108.00] |
|
|
| Inp | 3108.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Tboil | 700.97 | K | Relay (1.0) Calculated Property |
| Tc | 1006.60 | K | Relay (1.0) Calculated Property |
| Tfus | 460.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1611.29; 2049.52] | J/mol×K | [1025.57; 1260.48] |
|
| Cp,gas | 1611.29 | J/mol×K | 1025.57 | Joback Calculated Property |
| Cp,gas | 1667.91 | J/mol×K | 1064.72 | Joback Calculated Property |
| Cp,gas | 1730.05 | J/mol×K | 1103.87 | Joback Calculated Property |
| Cp,gas | 1798.51 | J/mol×K | 1143.02 | Joback Calculated Property |
| Cp,gas | 1874.05 | J/mol×K | 1182.17 | Joback Calculated Property |
| Cp,gas | 1957.46 | J/mol×K | 1221.33 | Joback Calculated Property |
| Cp,gas | 2049.52 | J/mol×K | 1260.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,19-Cyclolanostan-3-ol, 24-methylene-, (3«beta»)-.
Sources
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