- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9H,6-8,10H2,1-4H3/b14-13+
- InChI Key
- QEAHSEZXAQIWSW-BUHFOSPRSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CC(=O)CC(C)=C1CC=C(C)CC1
- Molecular Weight1
- 218.33
- CAS
- 108549-48-0
- Other Names
-
- «gamma»-Atlantone (Z)
- «gamma»-(Z)-Atlantone
- 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.
- 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° | 107.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.359 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1698.70] |
|
|
| Inp | 1698.70 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Tboil | 635.39 | K | Joback Calculated Property |
| Tc | 851.73 | K | Joback Calculated Property |
| Tfus | 311.00 | K | Joback Calculated Property |
| Vc | 0.766 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.34; 613.82] | J/mol×K | [635.39; 851.73] |
|
| Cp,gas | 519.34 | J/mol×K | 635.39 | Joback Calculated Property |
| Cp,gas | 537.66 | J/mol×K | 671.45 | Joback Calculated Property |
| Cp,gas | 554.87 | J/mol×K | 707.50 | Joback Calculated Property |
| Cp,gas | 571.03 | J/mol×K | 743.56 | Joback Calculated Property |
| Cp,gas | 586.20 | J/mol×K | 779.62 | Joback Calculated Property |
| Cp,gas | 600.44 | J/mol×K | 815.68 | Joback Calculated Property |
| Cp,gas | 613.82 | J/mol×K | 851.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«gamma»-Atlantone.
Sources
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