- InChI
- InChI=1S/C13H14O2/c1-12(14)15-11-7-3-6-10-13-8-4-2-5-9-13/h2-10H,11H2,1H3/b7-3+,10-6+
- InChI Key
- HSOAIIIEPRQXKY-ASVGJQBISA-N
- Formula
- C13H14O2
- SMILES
- CC(=O)OCC=CC=Cc1ccccc1
- Molecular Weight1
- 202.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 | 0.4497 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.819 | Crippen Calculated Property | |
| McVol | 169.110 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | [1654.00; 1654.00] |
|
|
| Inp | 1654.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Tboil | 555.69 | K | Relay (1.0) Calculated Property |
| Tc | 754.70 | K | Relay (1.0) Calculated Property |
| Tfus | 344.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.59; 477.44] | J/mol×K | [608.13; 828.54] |
|
| Cp,gas | 402.59 | J/mol×K | 608.13 | Joback Calculated Property |
| Cp,gas | 417.33 | J/mol×K | 644.87 | Joback Calculated Property |
| Cp,gas | 431.09 | J/mol×K | 681.60 | Joback Calculated Property |
| Cp,gas | 443.92 | J/mol×K | 718.34 | Joback Calculated Property |
| Cp,gas | 455.88 | J/mol×K | 755.07 | Joback Calculated Property |
| Cp,gas | 467.03 | J/mol×K | 791.81 | Joback Calculated Property |
| Cp,gas | 477.44 | J/mol×K | 828.54 | Joback Calculated Property |
| η | [0.0001226; 0.0018445] | Pa×s | [324.69; 608.13] |
|
| η | 0.0018445 | Pa×s | 324.69 | Joback Calculated Property |
| η | 0.0008811 | Pa×s | 371.93 | Joback Calculated Property |
| η | 0.0004971 | Pa×s | 419.17 | Joback Calculated Property |
| η | 0.0003150 | Pa×s | 466.41 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 513.65 | Joback Calculated Property |
| η | 0.0001592 | Pa×s | 560.89 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 608.13 | Joback Calculated Property |
Similar Compounds
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Sources
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