- InChI
- InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m0/s1
- InChI Key
- ISLOGSAEQNKPGG-SWLSCSKDSA-N
- Formula
- C15H22O
- SMILES
-
CC1=CC(=O)CC(C)C12CCC(=C(C)C)C
2 - Molecular Weight1
- 218.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 77.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | [1788.00; 1832.00] |
|
|
| Inp | 1821.00 | NIST | |
| Inp | 1832.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Inp | 1798.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Inp | 1788.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Inp | 1821.00 | NIST | |
| I | 2519.00 | NIST | |
| Tboil | 651.88 | K | Joback Calculated Property |
| Tc | 891.67 | K | Joback Calculated Property |
| Tfus | 382.41 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.30; 652.93] | J/mol×K | [651.88; 891.67] |
|
| Cp,gas | 539.30 | J/mol×K | 651.88 | Joback Calculated Property |
| Cp,gas | 560.66 | J/mol×K | 691.85 | Joback Calculated Property |
| Cp,gas | 580.83 | J/mol×K | 731.81 | Joback Calculated Property |
| Cp,gas | 599.99 | J/mol×K | 771.78 | Joback Calculated Property |
| Cp,gas | 618.29 | J/mol×K | 811.74 | Joback Calculated Property |
| Cp,gas | 635.88 | J/mol×K | 851.71 | Joback Calculated Property |
| Cp,gas | 652.93 | J/mol×K | 891.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Vetivone.
Sources
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