- InChI
- InChI=1S/C12H14O2/c1-2-9-4-3-5-11(8-9)14-12(13)10-6-7-10/h3-5,8,10H,2,6-7H2,1H3
- InChI Key
- GQXFHKNHQQKEMW-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- CCc1cccc(OC(=O)C2CC2)c1
- Molecular Weight1
- 190.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.5702 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -294.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.564 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Inp | [1538.00; 1538.00] |
|
|
| Inp | 1538.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Tboil | 536.29 | K | Relay (1.0) Calculated Property |
| Tc | 776.40 | K | Relay (1.0) Calculated Property |
| Tfus | 250.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.53; 455.29] | J/mol×K | [570.78; 790.48] |
|
| Cp,gas | 374.53 | J/mol×K | 570.78 | Joback Calculated Property |
| Cp,gas | 390.51 | J/mol×K | 607.40 | Joback Calculated Property |
| Cp,gas | 405.41 | J/mol×K | 644.01 | Joback Calculated Property |
| Cp,gas | 419.29 | J/mol×K | 680.63 | Joback Calculated Property |
| Cp,gas | 432.19 | J/mol×K | 717.25 | Joback Calculated Property |
| Cp,gas | 444.18 | J/mol×K | 753.87 | Joback Calculated Property |
| Cp,gas | 455.29 | J/mol×K | 790.48 | Joback Calculated Property |
| η | [0.0003724; 0.0020953] | Pa×s | [324.21; 570.78] |
|
| η | 0.0020953 | Pa×s | 324.21 | Joback Calculated Property |
| η | 0.0013363 | Pa×s | 365.30 | Joback Calculated Property |
| η | 0.0009333 | Pa×s | 406.40 | Joback Calculated Property |
| η | 0.0006963 | Pa×s | 447.50 | Joback Calculated Property |
| η | 0.0005457 | Pa×s | 488.59 | Joback Calculated Property |
| η | 0.0004442 | Pa×s | 529.68 | Joback Calculated Property |
| η | 0.0003724 | Pa×s | 570.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 3-ethylphenyl ester.
Sources
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