- InChI
- InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+
- InChI Key
- WNJBUWVXSNLWEQ-HWKANZROSA-N
- Formula
- C7H10O2
- SMILES
- C=CCOC(=O)C=CC
- Molecular Weight1
- 126.15
- CAS
- 20474-93-5
- Other Names
-
- Crotonic acid, allyl ester
- Allyl crotonate
- Allyl (2e)-2-butenoate
- allyl 2-butenoate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -285.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.292 | Crippen Calculated Property | |
| McVol | 108.330 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 417.23 | K | Relay (1.0) Calculated Property |
| Tc | 626.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [146.50; 329.48] | 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 | 4.76100e+00 | |||
| Coefficient B | 6.14020e-01 | |||
| Coefficient C | -3.69100e-04 | |||
| Coefficient D | 7.98000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 292.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 307.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 319.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 329.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050392; 0.0002016] | Pa×s | [204.14; 422.85] |
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 | -1.15135e+01 | |||
| Coefficient B | 1.27036e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 204.14 | |||
| Temperature range, max. | 422.85 | |||
| η | 0.0050392 | Pa×s | 204.14 | Calculated Property |
| η | 0.0025993 | Pa×s | 228.44 | Calculated Property |
| η | 0.0015228 | Pa×s | 252.74 | Calculated Property |
| η | 0.0009799 | Pa×s | 277.04 | Calculated Property |
| η | 0.0006770 | Pa×s | 301.35 | Calculated Property |
| η | 0.0004943 | Pa×s | 325.65 | Calculated Property |
| η | 0.0003770 | Pa×s | 349.95 | Calculated Property |
| η | 0.0002978 | Pa×s | 374.25 | Calculated Property |
| η | 0.0002421 | Pa×s | 398.55 | Calculated Property |
| η | 0.0002016 | Pa×s | 422.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-propenyl ester.
Sources
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