- InChI
- InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
- InChI Key
- ZFDIRQKJPRINOQ-HWKANZROSA-N
- Formula
- C6H10O2
- SMILES
- CC=CC(=O)OCC
- Molecular Weight1
- 114.14
- CAS
- 623-70-1
- Other Names
-
- Crotonic acid, ethyl ester, (E)-
- trans-2-Butenoic acid ethyl ester
- Ethyl (E)-crotonate
- Ethyl trans-crotonate
- (E)-2-Butenoic acid ethyl ester
- (E)-CH3CH=CHCOOC2H5
- Crotonate d'ethyle, E-
- «alpha»-Crotonic acid ethyl ester, trans-
- Ethyl (E)-2-butenoate
- Ethyl trans-2-butenoate
- 2-Butenoic acid, ethyl ester, (2E)-
- Ethyl crotonate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -3370.20 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -154.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -420.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.00; 44.00] | kJ/mol |
|
| ΔvapH° | 44.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 44.00 | kJ/mol | NIST |
| IE | 10.11 | eV | NIST |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Inp | [808.00; 855.00] |
|
|
| Inp | 830.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 808.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | Outlier 855.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 820.00 | NIST | |
| I | [1151.00; 1169.00] |
|
|
| I | 1158.00 | NIST | |
| I | 1164.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1154.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1169.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1158.00 | NIST | |
| Tboil | [409.70; 415.70] | K |
|
| Tboil | 415.70 | K | NIST |
| Tboil | 409.70 | K | NIST |
| Tc | 599.00 ± 5.00 | K | NIST |
| Tfus | 224.46 | K | Joback Calculated Property |
| Vc | 0.376 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.29; 235.63] | J/mol×K | [417.13; 603.73] |
|
| Cp,gas | 184.29 | J/mol×K | 417.13 | Joback Calculated Property |
| Cp,gas | 193.78 | J/mol×K | 448.23 | Joback Calculated Property |
| Cp,gas | 202.88 | J/mol×K | 479.33 | Joback Calculated Property |
| Cp,gas | 211.61 | J/mol×K | 510.43 | Joback Calculated Property |
| Cp,gas | 219.98 | J/mol×K | 541.53 | Joback Calculated Property |
| Cp,gas | 227.98 | J/mol×K | 572.63 | Joback Calculated Property |
| Cp,gas | 235.63 | J/mol×K | 603.73 | Joback Calculated Property |
| η | [0.0002255; 0.0027763] | Pa×s | [224.46; 417.13] |
|
| η | 0.0027763 | Pa×s | 224.46 | Joback Calculated Property |
| η | 0.0014062 | Pa×s | 256.57 | Joback Calculated Property |
| η | 0.0008286 | Pa×s | 288.68 | Joback Calculated Property |
| η | 0.0005428 | Pa×s | 320.80 | Joback Calculated Property |
| η | 0.0003840 | Pa×s | 352.91 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 385.02 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 417.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, ethyl ester, (E)-.
Sources
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