- InChI
- InChI=1S/C14H16O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-8H,1,3H2,2,4-5H3
- InChI Key
- GYZZSDPJKDCFRU-UHFFFAOYSA-N
- Formula
- C14H16O2
- SMILES
- C=C(C)C(=O)Oc1cc(C)ccc1C(=C)C
- Molecular Weight1
- 216.28
- 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 | 0.6264 | Relay (1.0) Calculated Property | |
| ΔfG° | 84.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -230.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| McVol | 183.200 | ml/mol | McGowan Calculated Property |
| Pc | 2222.89 | kPa | Joback Calculated Property |
| Inp | 1479.00 | NIST | |
| I | 2116.00 | NIST | |
| Tboil | 546.49 | K | Relay (1.0) Calculated Property |
| Tc | 767.97 | K | Relay (1.0) Calculated Property |
| Tfus | 293.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.29; 527.45] | J/mol×K | [625.77; 842.36] | 
|
| Cp,gas | 449.29 | J/mol×K | 625.77 | Joback Calculated Property |
| Cp,gas | 464.47 | J/mol×K | 661.87 | Joback Calculated Property |
| Cp,gas | 478.75 | J/mol×K | 697.97 | Joback Calculated Property |
| Cp,gas | 492.16 | J/mol×K | 734.07 | Joback Calculated Property |
| Cp,gas | 504.73 | J/mol×K | 770.16 | Joback Calculated Property |
| Cp,gas | 516.48 | J/mol×K | 806.26 | Joback Calculated Property |
| Cp,gas | 527.45 | J/mol×K | 842.36 | Joback Calculated Property |
Similar Compounds
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Sources
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