- InChI
- InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22?,23?,24-,25?,27?,28?,29?,30?/m1/s1
- InChI Key
- MQYXUWHLBZFQQO-RJBYIQQZSA-N
- Formula
- C30H50O
- SMILES
-
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5
(C)CCC(O)C(C)(C)C5CCC43C)C12 - Molecular Weight1
- 426.72
- CAS
- 545-47-1
- Other Names
-
- Lup-20(29)-en-3-ol, (3«beta»)-
- Lup-20(29)-en-3«beta»-ol
- «beta»-Viscol
- Clerodol
- Fagarasterol
- Fagarsterol
- Lupenol
- Monogynol B
- Triterpene lupeol
- 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv.
- 3«beta»-Lup-20(29)-en-3-ol
- NSC 90487
- «beta»-Lupeol
- 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 | 0.6277 | Relay (1.0) Calculated Property | |
| ΔfG° | 301.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 148.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.025 | Crippen Calculated Property | |
| McVol | 380.830 | ml/mol | McGowan Calculated Property |
| Pc | 1019.43 | kPa | Joback Calculated Property |
| Inp | [3270.00; 3270.00] |
|
|
| Inp | 3270.00 | NIST | |
| Inp | 3270.00 | NIST | |
| Tboil | 709.18 | K | Relay (1.0) Calculated Property |
| Tc | 1010.87 | K | Relay (1.0) Calculated Property |
| Tfus | 463.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1551.91; 1958.92] | J/mol×K | [1007.04; 1245.95] |
|
| Cp,gas | 1551.91 | J/mol×K | 1007.04 | Joback Calculated Property |
| Cp,gas | 1605.28 | J/mol×K | 1046.86 | Joback Calculated Property |
| Cp,gas | 1663.42 | J/mol×K | 1086.68 | Joback Calculated Property |
| Cp,gas | 1727.09 | J/mol×K | 1126.50 | Joback Calculated Property |
| Cp,gas | 1797.05 | J/mol×K | 1166.31 | Joback Calculated Property |
| Cp,gas | 1874.08 | J/mol×K | 1206.13 | Joback Calculated Property |
| Cp,gas | 1958.92 | J/mol×K | 1245.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lupeol.
Sources
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