- 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).
- 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° | -230.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.91 | 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 |
| Tboil | 403.04 | K | Relay (1.0) Calculated Property |
| Tc | 592.33 | K | Relay (1.0) Calculated Property |
| Tfus | 217.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.10; 306.40] | 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 | 8.66100e+00 | |||
| Coefficient B | 5.39040e-01 | |||
| Coefficient C | -2.91800e-04 | |||
| Coefficient D | 5.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 255.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 271.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 285.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 296.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 306.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056648; 0.0002027] | Pa×s | [194.63; 407.33] |
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 | -1.15515e+01 | |||
| Coefficient B | 1.24136e+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. | 194.63 | |||
| Temperature range, max. | 407.33 | |||
| η | 0.0056648 | Pa×s | 194.63 | Calculated Property |
| η | 0.0028395 | Pa×s | 218.26 | Calculated Property |
| η | 0.0016290 | Pa×s | 241.90 | Calculated Property |
| η | 0.0010317 | Pa×s | 265.53 | Calculated Property |
| η | 0.0007041 | Pa×s | 289.17 | Calculated Property |
| η | 0.0005090 | Pa×s | 312.80 | Calculated Property |
| η | 0.0003852 | Pa×s | 336.43 | Calculated Property |
| η | 0.0003023 | Pa×s | 360.07 | Calculated Property |
| η | 0.0002445 | Pa×s | 383.70 | Calculated Property |
| η | 0.0002027 | Pa×s | 407.33 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [309.60; 441.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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