- InChI
- InChI=1S/C15H22O2/c1-10-6-13(17)8-15(3)5-4-12(7-14(10)15)11(2)9-16/h12,16H,2,4-9H2,1,3H3
- InChI Key
- ZQMDPUQDUUCMDK-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
C=C(CO)C1CCC2(C)CC(=O)CC(C)=C2
C1 - Molecular Weight1
- 234.33
- 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.
- 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° | -26.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.021 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1909.00; 1909.00] |
|
|
| Inp | 1909.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Tboil | 739.08 | K | Joback Calculated Property |
| Tc | 959.07 | K | Joback Calculated Property |
| Tfus | 443.63 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.38; 701.94] | J/mol×K | [739.08; 959.07] |
|
| Cp,gas | 604.38 | J/mol×K | 739.08 | Joback Calculated Property |
| Cp,gas | 622.11 | J/mol×K | 775.74 | Joback Calculated Property |
| Cp,gas | 639.08 | J/mol×K | 812.41 | Joback Calculated Property |
| Cp,gas | 655.43 | J/mol×K | 849.07 | Joback Calculated Property |
| Cp,gas | 671.28 | J/mol×K | 885.74 | Joback Calculated Property |
| Cp,gas | 686.74 | J/mol×K | 922.40 | Joback Calculated Property |
| Cp,gas | 701.94 | J/mol×K | 959.07 | Joback Calculated Property |
Similar Compounds
Sources
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