- InChI
- InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3/b6-5+
- InChI Key
- FARYTWBWLZAXNK-AATRIKPKSA-N
- Formula
- C7H13NO2
- SMILES
- CCOC(=O)C=C(C)NC
- Molecular Weight1
- 143.18
- CAS
- 870-85-9
- Other Names
-
- Crotonic acid, 3-(methylamino)-, ethyl ester
- Ethyl «beta»-(methylamino)crotonate
- Ethyl 3-(methylamino)-2-butenoate
- Ethyl 3-(methylamino)crotonate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4957 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.673 | Crippen Calculated Property | |
| McVol | 122.610 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Tboil | 475.01 | K | Relay (1.0) Calculated Property |
| Tc | 653.56 | K | Relay (1.0) Calculated Property |
| Tfus | 305.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.54; 326.82] | J/mol×K | [490.06; 681.38] | 
|
| Cp,gas | 265.54 | J/mol×K | 490.06 | Joback Calculated Property |
| Cp,gas | 277.01 | J/mol×K | 521.95 | Joback Calculated Property |
| Cp,gas | 287.96 | J/mol×K | 553.83 | Joback Calculated Property |
| Cp,gas | 298.40 | J/mol×K | 585.72 | Joback Calculated Property |
| Cp,gas | 308.35 | J/mol×K | 617.61 | Joback Calculated Property |
| Cp,gas | 317.82 | J/mol×K | 649.50 | Joback Calculated Property |
| Cp,gas | 326.82 | J/mol×K | 681.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 3-(methylamino)-, ethyl ester.
Sources
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