- InChI
- InChI=1S/C7H12N2O2/c1-9(2)5-8-7(3-4-7)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)
- InChI Key
- PBLKPNVCRDIRDP-UHFFFAOYSA-N
- Formula
- C7H12N2O2
- SMILES
- CN(C)C=NC1(C(=O)O)CC1
- Molecular Weight1
- 156.18
- 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 | 0.6457 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -267.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.193 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1517.00] |
|
|
| Inp | 1517.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Tboil | 531.06 | K | Relay (1.0) Calculated Property |
| Tc | 760.24 | K | Relay (1.0) Calculated Property |
| Tfus | 413.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Aminocyclopropanecarboxylic acid, N-dimethylaminomethylene-.
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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