- InChI
- InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h23,25-28H,10-20H2,1-9H3/t23?,25?,26-,27?,28?,30?,31-,32?,33?/m1/s1
- InChI Key
- QADDYABFNQGSOG-KGTVBQRLSA-N
- Formula
- C33H54O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CCC(C)=C(C)C)CCC2(C)C4CCC3C1( C)C - Molecular Weight1
- 482.78
- 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 | 0.6714 | Relay (... Calculated Property | |
| ΔfG° | 262.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.86 | kJ/mol | Relay (... Calculated Property |
| IE | 7.73 | eV | Relay (... Calculated Property |
| log10WS | -7.54 | Relay (... Calculated Property | |
| logPoct/wat | 9.130 | Crippen Calculated Property | |
| McVol | 424.670 | ml/mol | McGowan Calculated Property |
| Pc | 839.19 | kPa | Joback Calculated Property |
| Inp | 3498.00 | NIST | |
| Tboil | 702.39 | K | Relay (... Calculated Property |
| Tc | 1018.32 | K | Relay (... Calculated Property |
| Tfus | 431.35 | K | Relay (... Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1756.39; 2266.10] | J/mol×K | [1063.24; 1308.14] | 
|
| Cp,gas | 1756.39 | J/mol×K | 1063.24 | Joback Calculated Property |
| Cp,gas | 1821.83 | J/mol×K | 1104.06 | Joback Calculated Property |
| Cp,gas | 1893.89 | J/mol×K | 1144.87 | Joback Calculated Property |
| Cp,gas | 1973.48 | J/mol×K | 1185.69 | Joback Calculated Property |
| Cp,gas | 2061.46 | J/mol×K | 1226.51 | Joback Calculated Property |
| Cp,gas | 2158.70 | J/mol×K | 1267.32 | Joback Calculated Property |
| Cp,gas | 2266.10 | J/mol×K | 1308.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobranol (24-methylcycloartenol) acetate.
Sources
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