- InChI
- InChI=1S/C32H52O2/c1-20(2)21(3)9-10-22(4)24-11-12-25-26-13-14-27-29(6,7)28(34-23(5)33)15-16-32(27)19-31(26,32)18-17-30(24,25)8/h9,20,22,24-28H,10-19H2,1-8H3/b21-9+/t22?,24?,25?,26?,27-,28?,30?,31?,32?/m1/s1
- InChI Key
- NRTONKDGIFSFHT-CQOVQXQESA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CC=C(C)C(C)C)CCC2C4CCC3C1(C)C - Molecular Weight1
- 468.75
- 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 | 0.6454 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.596 | Crippen Calculated Property | |
| McVol | 410.580 | ml/mol | McGowan Calculated Property |
| Pc | 866.07 | kPa | Joback Calculated Property |
| Inp | 3430.00 | NIST | |
| Tboil | 696.01 | K | Relay (1.0) Calculated Property |
| Tc | 1004.40 | K | Relay (1.0) Calculated Property |
| Tfus | 420.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1657.01; 2059.68] | J/mol×K | [1039.80; 1280.87] | 
|
| Cp,gas | 1657.01 | J/mol×K | 1039.80 | Joback Calculated Property |
| Cp,gas | 1710.34 | J/mol×K | 1079.98 | Joback Calculated Property |
| Cp,gas | 1768.24 | J/mol×K | 1120.16 | Joback Calculated Property |
| Cp,gas | 1831.40 | J/mol×K | 1160.33 | Joback Calculated Property |
| Cp,gas | 1900.55 | J/mol×K | 1200.51 | Joback Calculated Property |
| Cp,gas | 1976.40 | J/mol×K | 1240.69 | Joback Calculated Property |
| Cp,gas | 2059.68 | J/mol×K | 1280.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-31-norcycloartenol acetate.
Sources
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