- InChI
- InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h12-13H,1,3,7-9H2,2,4-6H3/t12-,13-/m0/s1
- InChI Key
- DYIOGDMFNJSASB-STQMWFEESA-N
- Formula
- C15H24O2
- SMILES
-
C=C(C)CC(=O)OCC1CC(C(=C)C)C1(C
)C - Molecular Weight1
- 236.35
- 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 | 0.5069 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Inp | 1526.00 | NIST | |
| I | 1905.00 | NIST | |
| Tboil | 548.66 | K | Relay (1.0) Calculated Property |
| Tc | 749.95 | K | Relay (1.0) Calculated Property |
| Tfus | 220.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.85; 665.83] | J/mol×K | [613.92; 813.30] | 
|
| Cp,gas | 564.85 | J/mol×K | 613.92 | Joback Calculated Property |
| Cp,gas | 583.72 | J/mol×K | 647.15 | Joback Calculated Property |
| Cp,gas | 601.64 | J/mol×K | 680.38 | Joback Calculated Property |
| Cp,gas | 618.71 | J/mol×K | 713.61 | Joback Calculated Property |
| Cp,gas | 635.03 | J/mol×K | 746.84 | Joback Calculated Property |
| Cp,gas | 650.71 | J/mol×K | 780.07 | Joback Calculated Property |
| Cp,gas | 665.83 | J/mol×K | 813.30 | Joback Calculated Property |
Similar Compounds
Sources
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