- InChI
- InChI=1S/C15H18O2/c1-11(2)8-9-17-15(16)14-10-13(14)12-6-4-3-5-7-12/h3-8,13-14H,9-10H2,1-2H3
- InChI Key
- HSALSWZNXPWFEA-UHFFFAOYSA-N
- Formula
- C15H18O2
- SMILES
- CC(C)=CCOC(=O)C1CC1c1ccccc1
- Molecular Weight1
- 230.30
- 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° | 78.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.299 | Crippen Calculated Property | |
| McVol | 190.730 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | 1830.00 | NIST | |
| Tboil | 651.68 | K | Joback Calculated Property |
| Tc | 873.69 | K | Joback Calculated Property |
| Tfus | 352.05 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.19; 601.04] | J/mol×K | [651.68; 873.69] | 
|
| Cp,gas | 512.19 | J/mol×K | 651.68 | Joback Calculated Property |
| Cp,gas | 529.69 | J/mol×K | 688.68 | Joback Calculated Property |
| Cp,gas | 546.01 | J/mol×K | 725.68 | Joback Calculated Property |
| Cp,gas | 561.23 | J/mol×K | 762.69 | Joback Calculated Property |
| Cp,gas | 575.43 | J/mol×K | 799.69 | Joback Calculated Property |
| Cp,gas | 588.67 | J/mol×K | 836.69 | Joback Calculated Property |
| Cp,gas | 601.04 | J/mol×K | 873.69 | Joback Calculated Property |
Similar Compounds
Sources
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