- InChI
- InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9H,4,6,8,10H2,1-3H3
- InChI Key
- RJTSSXMBQPILHQ-UHFFFAOYSA-N
- Formula
- C15H20O
- SMILES
-
C=C(CC(=O)C=C(C)C)C1=CC=C(C)CC
1 - Molecular Weight1
- 216.32
- 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 | 0.4466 | Relay (... Calculated Property | |
| ΔfG° | 170.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -67.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Relay (... Calculated Property |
| IE | 7.80 | eV | Relay (... Calculated Property |
| log10WS | -3.77 | Relay (... Calculated Property | |
| logPoct/wat | 4.135 | Crippen Calculated Property | |
| McVol | 195.720 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | 1670.00 | NIST | |
| Tboil | 549.89 | K | Relay (... Calculated Property |
| Tc | 763.86 | K | Relay (... Calculated Property |
| Tfus | 325.79 | K | Relay (... Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.74; 586.51] | J/mol×K | [629.57; 846.73] | 
|
| Cp,gas | 496.74 | J/mol×K | 629.57 | Joback Calculated Property |
| Cp,gas | 514.21 | J/mol×K | 665.76 | Joback Calculated Property |
| Cp,gas | 530.60 | J/mol×K | 701.96 | Joback Calculated Property |
| Cp,gas | 545.96 | J/mol×K | 738.15 | Joback Calculated Property |
| Cp,gas | 560.36 | J/mol×K | 774.35 | Joback Calculated Property |
| Cp,gas | 573.85 | J/mol×K | 810.54 | Joback Calculated Property |
| Cp,gas | 586.51 | J/mol×K | 846.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Atlantone.
Sources
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