- InChI
- InChI=1S/C30H48O/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/h20-23,25H,1,9-18H2,2-8H3
- InChI Key
- GRBHNQFQFHLCHO-UHFFFAOYSA-N
- Formula
- C30H48O
- SMILES
-
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5
(C)CCC(=O)C(C)(C)C5CCC43C)C12 - Molecular Weight1
- 424.70
- CAS
- 1617-70-5
- Other Names
-
- Lup-20(30)-en-3-one
- Lupenone
- Lupen-3-one
- 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 | 0.5356 | Relay (1.0) Calculated Property | |
| ΔfG° | 323.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.233 | Crippen Calculated Property | |
| McVol | 376.530 | ml/mol | McGowan Calculated Property |
| Pc | 1003.98 | kPa | Joback Calculated Property |
| Inp | [3384.20; 3384.20] |
|
|
| Inp | 3384.20 | NIST | |
| Inp | 3384.20 | NIST | |
| Tboil | 703.60 | K | Relay (1.0) Calculated Property |
| Tc | 1005.37 | K | Relay (1.0) Calculated Property |
| Tfus | 449.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1501.11; 1916.19] | J/mol×K | [987.35; 1243.22] |
|
| Cp,gas | 1501.11 | J/mol×K | 987.35 | Joback Calculated Property |
| Cp,gas | 1555.23 | J/mol×K | 1030.00 | Joback Calculated Property |
| Cp,gas | 1614.18 | J/mol×K | 1072.64 | Joback Calculated Property |
| Cp,gas | 1678.86 | J/mol×K | 1115.29 | Joback Calculated Property |
| Cp,gas | 1750.16 | J/mol×K | 1157.93 | Joback Calculated Property |
| Cp,gas | 1828.98 | J/mol×K | 1200.58 | Joback Calculated Property |
| Cp,gas | 1916.19 | J/mol×K | 1243.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lup-20(29)-en-3-one.
Sources
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