- InChI
- InChI=1S/C6H9NO3/c1-3-5(6(9)10)7-4(2)8/h3H,1-2H3,(H,7,8)(H,9,10)/b5-3+
- InChI Key
- RZLLYKKORUSDSK-HWKANZROSA-N
- Formula
- C6H9NO3
- SMILES
- CC=C(NC(C)=O)C(=O)O
- Molecular Weight1
- 143.14
- CAS
- 55649-71-3
- 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 |
|---|---|---|---|
| ΔfG° | -233.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.59 | kJ/mol | Joback Calculated Property |
| IE | [8.30; 8.93] | eV |
|
| IE | 8.30 | eV | NIST |
| IE | 8.93 | eV | NIST |
| log10WS | -0.75 | Crippen Calculated Property | |
| logPoct/wat | 0.111 | Crippen Calculated Property | |
| McVol | 110.090 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 590.81 | K | Joback Calculated Property |
| Tc | 783.30 | K | Joback Calculated Property |
| Tfus | 351.68 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.99; 299.52] | J/mol×K | [590.81; 783.30] |
|
| Cp,gas | 257.99 | J/mol×K | 590.81 | Joback Calculated Property |
| Cp,gas | 265.98 | J/mol×K | 622.89 | Joback Calculated Property |
| Cp,gas | 273.51 | J/mol×K | 654.97 | Joback Calculated Property |
| Cp,gas | 280.61 | J/mol×K | 687.06 | Joback Calculated Property |
| Cp,gas | 287.30 | J/mol×K | 719.14 | Joback Calculated Property |
| Cp,gas | 293.59 | J/mol×K | 751.22 | Joback Calculated Property |
| Cp,gas | 299.52 | J/mol×K | 783.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-(acetylamino)-.
Sources
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