- InChI
- InChI=1S/C32H50O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,14,22,25-27H,9,11-13,15-20H2,1-8H3/t22?,25-,26?,27?,29?,30-,31?,32?/m1/s1
- InChI Key
- AAOXCALOONADHU-XJVNMOKCSA-N
- Formula
- C32H50O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CCC=C(C)C)=CCC2(C)C4CCC3C1(C) C - Molecular Weight1
- 466.74
- 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 | 0.6370 | Relay (1.0) Calculated Property | |
| ΔfG° | 291.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.660 | Crippen Calculated Property | |
| McVol | 406.280 | ml/mol | McGowan Calculated Property |
| Pc | 914.39 | kPa | Joback Calculated Property |
| Inp | 3291.00 | NIST | |
| Tboil | 693.44 | K | Relay (1.0) Calculated Property |
| Tc | 1002.04 | K | Relay (1.0) Calculated Property |
| Tfus | 436.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1641.24; 2128.13] | J/mol×K | [1049.29; 1293.77] | 
|
| Cp,gas | 1641.24 | J/mol×K | 1049.29 | Joback Calculated Property |
| Cp,gas | 1703.19 | J/mol×K | 1090.04 | Joback Calculated Property |
| Cp,gas | 1771.66 | J/mol×K | 1130.78 | Joback Calculated Property |
| Cp,gas | 1847.52 | J/mol×K | 1171.53 | Joback Calculated Property |
| Cp,gas | 1931.64 | J/mol×K | 1212.28 | Joback Calculated Property |
| Cp,gas | 2024.88 | J/mol×K | 1253.03 | Joback Calculated Property |
| Cp,gas | 2128.13 | J/mol×K | 1293.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cimicifugenol (7-dehydrocycloartenol) acetate.
Sources
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