- InChI
- InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3/t10-,11-,15+/m0/s1
- InChI Key
- JAWSHISYWRRQQQ-ZIBATOQPSA-N
- Formula
- C15H22O
- SMILES
-
CC1=C2C(=O)C3CCC(C)C2(CC1)C3(C
)C - Molecular Weight1
- 218.33
- 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.
- I : 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 | 0.3756 | Relay (... Calculated Property | |
| ΔfG° | 102.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.36 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -3.56 | Relay (... Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Inp | [1594.00; 1600.00] |
|
|
| Inp | 1594.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| I | 2089.00 | NIST | |
| Tboil | 551.14 | K | Relay (... Calculated Property |
| Tc | 816.68 | K | Relay (... Calculated Property |
| Tfus | 425.35 | K | Relay (... Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.11; 658.57] | J/mol×K | [644.11; 883.54] |
|
| Cp,gas | 541.11 | J/mol×K | 644.11 | Joback Calculated Property |
| Cp,gas | 562.10 | J/mol×K | 684.01 | Joback Calculated Property |
| Cp,gas | 582.11 | J/mol×K | 723.92 | Joback Calculated Property |
| Cp,gas | 601.45 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 620.44 | J/mol×K | 803.73 | Joback Calculated Property |
| Cp,gas | 639.37 | J/mol×K | 843.63 | Joback Calculated Property |
| Cp,gas | 658.57 | J/mol×K | 883.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Patchoulenone.
Sources
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