- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3965 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3370.20 ± 2.10 | kJ/mol | NIST |
| ΔfG° | -230.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -420.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 15.87 | 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 | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | 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 | 851.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 844.00 | 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 | 1158.00 | NIST | |
| I | 1157.00 | 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 | 217.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.58; 233.47] | J/mol×K | [399.26; 581.91] |
|
| Cp,gas | 180.58 | J/mol×K | 399.26 | Joback Calculated Property |
| Cp,gas | 190.41 | J/mol×K | 429.70 | Joback Calculated Property |
| Cp,gas | 199.83 | J/mol×K | 460.14 | Joback Calculated Property |
| Cp,gas | 208.84 | J/mol×K | 490.58 | Joback Calculated Property |
| Cp,gas | 217.44 | J/mol×K | 521.02 | Joback Calculated Property |
| Cp,gas | 225.65 | J/mol×K | 551.47 | Joback Calculated Property |
| Cp,gas | 233.47 | J/mol×K | 581.91 | Joback Calculated Property |
| η | [0.0002155; 0.0056648] | Pa×s | [194.63; 399.26] |
|
| η | 0.0056648 | Pa×s | 194.63 | Joback Calculated Property |
| η | 0.0021886 | Pa×s | 228.73 | Joback Calculated Property |
| η | 0.0010823 | Pa×s | 262.84 | Joback Calculated Property |
| η | 0.0006292 | Pa×s | 296.94 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 331.05 | Joback Calculated Property |
| η | 0.0002882 | Pa×s | 365.15 | Joback Calculated Property |
| η | 0.0002155 | Pa×s | 399.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, ethyl ester, (E)-.
Sources
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