- InChI
- InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
- InChI Key
- ZFDIRQKJPRINOQ-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC=CC(=O)OCC
- Molecular Weight1
- 114.14
- CAS
- 10544-63-5
- Other Names
-
- 2-Butenoic acid, ethyl ester
- ethyl but-2-enoate
- ethyl crotonate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -154.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.06 | kJ/mol | Joback Calculated Property |
| 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 | [819.00; 863.00] |
|
|
| Inp | 826.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | Outlier 863.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 826.00 | NIST | |
| I | [1122.00; 1194.00] |
|
|
| I | 1172.00 | NIST | |
| I | 1169.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1149.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1158.00 | NIST | |
| I | 1152.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1165.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1158.00 | NIST | |
| I | 1158.00 | NIST | |
| I | 1150.00 | NIST | |
| I | 1146.00 | NIST | |
| I | Outlier 1122.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1179.90 | NIST | |
| I | Outlier 1194.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1164.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1152.00 | NIST | |
| I | Outlier 1122.00 | NIST | |
| Tboil | 417.13 | K | Joback Calculated Property |
| Tc | 603.73 | K | Joback Calculated Property |
| 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 |
| ΔvapH | 47.10 | kJ/mol | 374.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [308.61; 416.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.70693e+01 | |||
| Coefficient B | -4.25541e+03 | |||
| Coefficient C | -5.50330e+01 | |||
| Temperature range, min. | 308.61 | |||
| Temperature range, max. | 416.95 | |||
| Pvap | 1.33 | kPa | 308.61 | Calculated Property |
| Pvap | 2.85 | kPa | 320.65 | Calculated Property |
| Pvap | 5.71 | kPa | 332.69 | Calculated Property |
| Pvap | 10.80 | kPa | 344.72 | Calculated Property |
| Pvap | 19.41 | kPa | 356.76 | Calculated Property |
| Pvap | 33.35 | kPa | 368.80 | Calculated Property |
| Pvap | 55.04 | kPa | 380.84 | Calculated Property |
| Pvap | 87.66 | kPa | 392.87 | Calculated Property |
| Pvap | 135.20 | kPa | 404.91 | Calculated Property |
| Pvap | 202.62 | kPa | 416.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-butenoate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.