- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.24; 504.70] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.24590e+01 | |||
| Coefficient B | 1.10152e+00 | |||
| Coefficient C | -7.18760e-04 | |||
| Coefficient D | 1.74400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 348.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 417.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 445.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 468.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 488.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 504.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020953; 0.0004001] | Pa×s | [324.21; 553.34] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.01667e+01 | |||
| Coefficient B | 1.29640e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 324.21 | |||
| Temperature range, max. | 553.34 | |||
| η | 0.0020953 | Pa×s | 324.21 | Calculated Property |
| η | 0.0015661 | Pa×s | 349.67 | Calculated Property |
| η | 0.0012177 | Pa×s | 375.13 | Calculated Property |
| η | 0.0009776 | Pa×s | 400.59 | Calculated Property |
| η | 0.0008057 | Pa×s | 426.04 | Calculated Property |
| η | 0.0006786 | Pa×s | 451.50 | Calculated Property |
| η | 0.0005822 | Pa×s | 476.96 | Calculated Property |
| η | 0.0005073 | Pa×s | 502.42 | Calculated Property |
| η | 0.0004479 | Pa×s | 527.88 | Calculated Property |
| η | 0.0004001 | Pa×s | 553.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 3-ethylphenyl ester.
Sources
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