- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.04; 258.58] | J/mol×K | [418.82; 604.08] | 
|
| Cp,gas | 203.04 | J/mol×K | 418.82 | Joback Calculated Property |
| Cp,gas | 213.50 | J/mol×K | 449.70 | Joback Calculated Property |
| Cp,gas | 223.46 | J/mol×K | 480.57 | Joback Calculated Property |
| Cp,gas | 232.93 | J/mol×K | 511.45 | Joback Calculated Property |
| Cp,gas | 241.93 | J/mol×K | 542.32 | Joback Calculated Property |
| Cp,gas | 250.47 | J/mol×K | 573.20 | Joback Calculated Property |
| Cp,gas | 258.58 | J/mol×K | 604.08 | Joback Calculated Property |
| η | [0.0002075; 0.0050392] | Pa×s | [204.14; 418.82] |
|
| η | 0.0050392 | Pa×s | 204.14 | Joback Calculated Property |
| η | 0.0019921 | Pa×s | 239.92 | Joback Calculated Property |
| η | 0.0010020 | Pa×s | 275.70 | Joback Calculated Property |
| η | 0.0005902 | Pa×s | 311.48 | Joback Calculated Property |
| η | 0.0003877 | Pa×s | 347.26 | Joback Calculated Property |
| η | 0.0002755 | Pa×s | 383.04 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 418.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-propenyl ester.
Sources
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