- InChI
- InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
- InChI Key
- MCVVUJPXSBQTRZ-ONEGZZNKSA-N
- Formula
- C5H8O2
- SMILES
- CC=CC(=O)OC
- Molecular Weight1
- 100.12
- CAS
- 623-43-8
- Other Names
-
- (E)-2-Butenoic acid methyl ester
- (E)-CH3CH=CHC(O)OCH3
- (E)-Crotonic acid methyl ester
- 2-Butenoic acid, methyl ester, (2E)-
- Crotonic acid, methyl ester, (E)-
- Methyl (E)-2-butenoate
- Methyl 2-butenoate, (E)-
- Methyl E-crotonate
- Methyl E-propene-1-carboxylate
- Methyl crotonate
- Methyl crotonate, (E)-
- Methyl trans-2-butenoate
- Methyl trans-crotonate
- Methyl «alpha»-crotonate, trans-
- Methyl «alpha»-crotonate, trans-
- trans-2-Butenoic acid methyl ester
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 851.30 | kJ/mol | NIST |
| BasG | 820.40 | kJ/mol | NIST |
| ΔcH°liquid | -2728.00 | kJ/mol | NIST |
| ΔfG° | -162.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -383.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.00; 41.00] | kJ/mol |
|
| ΔvapH° | 41.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 41.00 | kJ/mol | NIST |
| log10WS | -0.63 | Crippen Calculated Property | |
| logPoct/wat | 0.735 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Inp | [726.00; 761.00] |
|
|
| Inp | 756.00 | NIST | |
| Inp | Outlier 726.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 745.00 | NIST | |
| I | [1088.00; 1115.00] |
|
|
| I | 1100.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1088.00 | NIST | |
| I | 1110.00 | NIST | |
| I | 1115.00 | NIST | |
| I | 1102.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1115.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1108.00 | NIST | |
| I | 1102.00 | NIST | |
| I | 1100.00 | NIST | |
| Tboil | [392.20; 394.20] | K |
|
| Tboil | 392.20 | K | NIST |
| Tboil | 394.20 | K | NIST |
| Tc | 582.22 | K | Joback Calculated Property |
| Tfus | 213.19 | K | Joback Calculated Property |
| Vc | 0.320 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.24; 192.07] | J/mol×K | [394.25; 582.22] |
|
| Cp,gas | 148.24 | J/mol×K | 394.25 | Joback Calculated Property |
| Cp,gas | 156.32 | J/mol×K | 425.58 | Joback Calculated Property |
| Cp,gas | 164.08 | J/mol×K | 456.91 | Joback Calculated Property |
| Cp,gas | 171.53 | J/mol×K | 488.23 | Joback Calculated Property |
| Cp,gas | 178.67 | J/mol×K | 519.56 | Joback Calculated Property |
| Cp,gas | 185.52 | J/mol×K | 550.89 | Joback Calculated Property |
| Cp,gas | 192.07 | J/mol×K | 582.22 | Joback Calculated Property |
| η | [0.0002253; 0.0025463] | Pa×s | [213.19; 394.25] |
|
| η | 0.0025463 | Pa×s | 213.19 | Joback Calculated Property |
| η | 0.0013230 | Pa×s | 243.37 | Joback Calculated Property |
| η | 0.0007942 | Pa×s | 273.54 | Joback Calculated Property |
| η | 0.0005276 | Pa×s | 303.72 | Joback Calculated Property |
| η | 0.0003774 | Pa×s | 333.90 | Joback Calculated Property |
| η | 0.0002854 | Pa×s | 364.07 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 394.25 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [296.02; 415.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56634e+01 | |||
| Coefficient B | -3.77162e+03 | |||
| Coefficient C | -5.07240e+01 | |||
| Temperature range, min. | 296.02 | |||
| Temperature range, max. | 415.06 | |||
| Pvap | 1.33 | kPa | 296.02 | Calculated Property |
| Pvap | 2.93 | kPa | 309.25 | Calculated Property |
| Pvap | 5.96 | kPa | 322.47 | Calculated Property |
| Pvap | 11.34 | kPa | 335.70 | Calculated Property |
| Pvap | 20.40 | kPa | 348.93 | Calculated Property |
| Pvap | 34.91 | kPa | 362.15 | Calculated Property |
| Pvap | 57.17 | kPa | 375.38 | Calculated Property |
| Pvap | 90.10 | kPa | 388.61 | Calculated Property |
| Pvap | 137.19 | kPa | 401.83 | Calculated Property |
| Pvap | 202.62 | kPa | 415.06 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, methyl ester, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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