- InChI
- InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4+
- InChI Key
- YPMPTULBFPFSEQ-SNAWJCMRSA-N
- Formula
- C6H11NO2
- SMILES
- CCOC(=O)C=C(C)N
- Molecular Weight1
- 129.16
- CAS
- 7318-00-5
- Other Names
-
- Crotonic acid, 3-amino-, ethyl ester
- «beta»-Aminocrotonic acid ethyl ester
- Ethyl «beta»-aminocrotonate
- Ethyl 3-amino-2-butenoate
- Ethyl 3-aminocrotonate
- 3-Aminocrotonic acid ethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -96.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.78 | kJ/mol | Joback Calculated Property |
| log10WS | -0.98 | Crippen Calculated Property | |
| logPoct/wat | 0.412 | Crippen Calculated Property | |
| McVol | 108.520 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Tboil | 489.54 | K | Joback Calculated Property |
| Tc | 692.63 | K | Joback Calculated Property |
| Tfus | 293.76 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.39; 287.58] | J/mol×K | [489.54; 692.63] | 
|
| Cp,gas | 233.39 | J/mol×K | 489.54 | Joback Calculated Property |
| Cp,gas | 243.60 | J/mol×K | 523.39 | Joback Calculated Property |
| Cp,gas | 253.33 | J/mol×K | 557.24 | Joback Calculated Property |
| Cp,gas | 262.57 | J/mol×K | 591.09 | Joback Calculated Property |
| Cp,gas | 271.35 | J/mol×K | 624.94 | Joback Calculated Property |
| Cp,gas | 279.69 | J/mol×K | 658.78 | Joback Calculated Property |
| Cp,gas | 287.58 | J/mol×K | 692.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 3-amino-, ethyl ester.
Sources
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