- 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
- ethyl crotonate
- trans-2-butenoic acid, ethyl ester
- ω : Acentric Factor.
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | |
| ΔfG° | -154.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3670.80 | kPa | Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements |
| I | [1166.00; 1166.00] |
|
|
| I | 1166.00 | NIST | |
| I | 1166.00 | NIST | |
| Tboil | 403.04 | K | Relay (1.0) Calculated Property |
| Tc | 586.93 | K | Relay (1.0) Calculated Property |
| Tfus | 220.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.356 | m3/kmol | Relay (1.0) 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [309.60; 441.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49916e+01 | |||
| Coefficient B | -3.73696e+03 | |||
| Coefficient C | -5.54500e+01 | |||
| Temperature range, min. | 309.60 | |||
| Temperature range, max. | 441.50 | |||
| Pvap | 1.33 | kPa | 309.60 | Calculated Property |
| Pvap | 2.97 | kPa | 324.26 | Calculated Property |
| Pvap | 6.10 | kPa | 338.91 | Calculated Property |
| Pvap | 11.66 | kPa | 353.57 | Calculated Property |
| Pvap | 20.98 | kPa | 368.22 | Calculated Property |
| Pvap | 35.82 | kPa | 382.88 | Calculated Property |
| Pvap | 58.41 | kPa | 397.53 | Calculated Property |
| Pvap | 91.49 | kPa | 412.19 | Calculated Property |
| Pvap | 138.32 | kPa | 426.84 | Calculated Property |
| Pvap | 202.67 | kPa | 441.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl trans-2-butenoate.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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