- InChI
- InChI=1S/C3H6N2O2/c1-3(6)5(2)4-7/h1-2H3
- InChI Key
- FFLFWNRFMZRFKU-UHFFFAOYSA-N
- Formula
- C3H6N2O2
- SMILES
- CC(=O)N(C)N=O
- Molecular Weight1
- 102.09
- CAS
- 7417-67-6
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5260 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -112.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.146 | Crippen Calculated Property | |
| McVol | 76.230 | ml/mol | McGowan Calculated Property |
| Pc | 4672.09 | kPa | Joback Calculated Property |
| Inp | [684.00; 684.00] |
|
|
| Inp | 684.00 | NIST | |
| Inp | 684.00 | NIST | |
| Tboil | 450.51 | K | Relay (1.0) Calculated Property |
| Tc | 627.48 | K | Relay (1.0) Calculated Property |
| Tfus | 321.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.317 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-methyl-N-nitroso-.
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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