- InChI
- InChI=1S/C31H50O2/c1-20(2)9-8-10-21(3)23-11-12-24-25-13-14-26-28(5,6)27(33-22(4)32)15-16-31(26)19-30(25,31)18-17-29(23,24)7/h9,21,23-27H,8,10-19H2,1-7H3/t21?,23?,24?,25?,26-,27?,29?,30?,31?/m1/s1
- InChI Key
- JAWKBSRSXOOGCI-HFCUEOPBSA-N
- Formula
- C31H50O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CCC=C(C)C)CCC2C4CCC3C1(C)C - Molecular Weight1
- 454.73
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 260.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 8.350 | Crippen Calculated Property | |
| McVol | 396.490 | ml/mol | McGowan Calculated Property |
| Pc | 912.73 | kPa | Joback Calculated Property |
| Inp | 3321.00 | NIST | |
| Tboil | 1017.36 | K | Joback Calculated Property |
| Tc | 1255.97 | K | Joback Calculated Property |
| Tfus | 635.03 | K | Joback Calculated Property |
| Vc | 1.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1576.47; 1951.28] | J/mol×K | [1017.36; 1255.97] | 
|
| Cp,gas | 1576.47 | J/mol×K | 1017.36 | Joback Calculated Property |
| Cp,gas | 1626.31 | J/mol×K | 1057.13 | Joback Calculated Property |
| Cp,gas | 1680.28 | J/mol×K | 1096.90 | Joback Calculated Property |
| Cp,gas | 1739.07 | J/mol×K | 1136.67 | Joback Calculated Property |
| Cp,gas | 1803.38 | J/mol×K | 1176.44 | Joback Calculated Property |
| Cp,gas | 1873.88 | J/mol×K | 1216.21 | Joback Calculated Property |
| Cp,gas | 1951.28 | J/mol×K | 1255.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 31-Norcycloartenol acetate.
Sources
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