- InChI
- InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4-
- InChI Key
- ZVSTUQXCWRZVJO-PLNGDYQASA-N
- Formula
- C4H9NO
- SMILES
- CN=C(C)OC
- Molecular Weight1
- 87.12
- CAS
- 3619-34-9
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.3267 | Relay (... Calculated Property | |
| ΔfG° | 9.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -201.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 34.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | 0.23 | Relay (... Calculated Property | |
| logPoct/wat | 0.681 | Crippen Calculated Property | |
| McVol | 78.770 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 356.86 | K | Relay (... Calculated Property |
| Tc | 531.51 | K | Relay (... Calculated Property |
| Tfus | 221.52 | K | Relay (... Calculated Property |
| Vc | 0.285 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ethanimidic acid, N-methyl-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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