- InChI
- InChI=1S/C22H32O2/c1-14(2)17-12-16-8-9-20-21(4,5)10-7-11-22(20,6)18(16)13-19(17)24-15(3)23/h12-14,20H,7-11H2,1-6H3
- InChI Key
- AZEPENWNEVUZPW-UHFFFAOYSA-N
- Formula
- C22H32O2
- SMILES
-
CC(=O)Oc1cc2c(cc1C(C)C)CCC1C(C
)(C)CCCC21C - Molecular Weight1
- 328.49
- CAS
- 15340-79-1
- Other Names
-
- Podocarpa-8,11,13-trien-12-ol, 13-isopropyl-, acetate
- Acetyl ferruginol
- trans-ferruginyl acetate
- 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, 3-acetate, (4bS,8aS)-
- Ferruginol 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 | 0.6620 | Relay (... Calculated Property | |
| ΔfG° | 60.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.87 | kJ/mol | Relay (... Calculated Property |
| IE | 7.72 | eV | Relay (... Calculated Property |
| log10WS | -5.94 | Relay (... Calculated Property | |
| logPoct/wat | 5.766 | Crippen Calculated Property | |
| McVol | 282.800 | ml/mol | McGowan Calculated Property |
| Pc | 1453.46 | kPa | Joback Calculated Property |
| Inp | 2357.00 | NIST | |
| Tboil | 641.08 | K | Relay (... Calculated Property |
| Tc | 895.04 | K | Relay (... Calculated Property |
| Tfus | 392.83 | K | Relay (... Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.36; 1066.37] | J/mol×K | [838.06; 1069.64] | 
|
| Cp,gas | 917.36 | J/mol×K | 838.06 | Joback Calculated Property |
| Cp,gas | 941.34 | J/mol×K | 876.66 | Joback Calculated Property |
| Cp,gas | 965.27 | J/mol×K | 915.25 | Joback Calculated Property |
| Cp,gas | 989.45 | J/mol×K | 953.85 | Joback Calculated Property |
| Cp,gas | 1014.16 | J/mol×K | 992.44 | Joback Calculated Property |
| Cp,gas | 1039.71 | J/mol×K | 1031.04 | Joback Calculated Property |
| Cp,gas | 1066.37 | J/mol×K | 1069.64 | Joback Calculated Property |
Similar Compounds
Sources
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