- InChI
- InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3
- InChI Key
- PFLUPZGCTVGDLV-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- CC(C)=NN=C(C)C
- Molecular Weight1
- 112.17
- CAS
- 627-70-3
- Other Names
-
- Acetone, azine
- Acetone ketazine
- Dimethyl ketazine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4440 | Relay (1.0) Calculated Property | |
| ΔfG° | 217.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 97.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.97; 8.60] | eV |
|
| IE | 8.60 | eV | NIST |
| IE | 7.97 | eV | NIST |
| IE | 7.97 | eV | NIST |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.863 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Inp | [828.00; 828.00] |
|
|
| Inp | 828.00 | NIST | |
| Inp | 828.00 | NIST | |
| Tboil | 406.20 | K | NIST |
| Tc | 580.23 | K | Relay (1.0) Calculated Property |
| Tfus | 271.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [327.20; 406.20] | K | [4.90; 102.00] |
|
| Tboilr | 327.20 | K | 4.90 | NIST |
| Tboilr | 406.20 | K | 102.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Propanone, (1-methylethylidene)hydrazone.
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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