- InChI
- InChI=1S/C15H24O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6-7,13,16H,1,8-10H2,2-5H3
- InChI Key
- LCXFGBNEANUFOH-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- C=CC(C)(O)CC1CC(C)=CCC1=C(C)C
- Molecular Weight1
- 220.35
- CAS
- 55780-93-3
- 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).
- 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 | 0.5426 | Relay (... Calculated Property | |
| ΔfG° | 110.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -3.01 | Relay (... Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Tboil | 548.40 | K | Relay (... Calculated Property |
| Tc | 741.63 | K | Relay (... Calculated Property |
| Tfus | 317.93 | K | Relay (... Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.82; 654.48] | J/mol×K | [658.44; 857.63] | 
|
| Cp,gas | 565.82 | J/mol×K | 658.44 | Joback Calculated Property |
| Cp,gas | 582.91 | J/mol×K | 691.64 | Joback Calculated Property |
| Cp,gas | 599.00 | J/mol×K | 724.84 | Joback Calculated Property |
| Cp,gas | 614.14 | J/mol×K | 758.03 | Joback Calculated Property |
| Cp,gas | 628.40 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 641.83 | J/mol×K | 824.43 | Joback Calculated Property |
| Cp,gas | 654.48 | J/mol×K | 857.63 | Joback Calculated Property |
Similar Compounds
Sources
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