- InChI
- InChI=1S/C32H52O2/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/h13,21-22,24-25,27H,9-12,14-20H2,1-8H3
- InChI Key
- QXHRYQRNDMKNRQ-UHFFFAOYSA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CCCC(C)C)CCC2(C)C4=CCC3C1(C)C - Molecular Weight1
- 468.75
- CAS
- 28413-79-8
- Other Names
-
- 24-Dihydrocimicifugenol acetate
- 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 | 0.6911 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.740 | Crippen Calculated Property | |
| McVol | 410.580 | ml/mol | McGowan Calculated Property |
| Pc | 887.88 | kPa | Joback Calculated Property |
| Inp | [3256.00; 3256.00] |
|
|
| Inp | 3256.00 | NIST | |
| Inp | 3256.00 | NIST | |
| Tboil | 694.50 | K | Relay (1.0) Calculated Property |
| Tc | 994.36 | K | Relay (1.0) Calculated Property |
| Tfus | 423.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.502 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1666.16; 2132.83] | J/mol×K | [1044.81; 1285.85] |
|
| Cp,gas | 1666.16 | J/mol×K | 1044.81 | Joback Calculated Property |
| Cp,gas | 1726.28 | J/mol×K | 1084.98 | Joback Calculated Property |
| Cp,gas | 1792.38 | J/mol×K | 1125.16 | Joback Calculated Property |
| Cp,gas | 1865.27 | J/mol×K | 1165.33 | Joback Calculated Property |
| Cp,gas | 1945.77 | J/mol×K | 1205.51 | Joback Calculated Property |
| Cp,gas | 2034.68 | J/mol×K | 1245.68 | Joback Calculated Property |
| Cp,gas | 2132.83 | J/mol×K | 1285.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,19-Cyclo-9«beta»-lanost-7-en-3«beta»-ol, acetate.
Sources
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