- InChI
- InChI=1S/C13H18N2O/c1-10(2)14-15(11(3)4)13(16)12-8-6-5-7-9-12/h5-9,11H,1-4H3
- InChI Key
- PUEMATHNABRXAS-UHFFFAOYSA-N
- Formula
- C13H18N2O
- SMILES
- CC(C)=NN(C(=O)c1ccccc1)C(C)C
- Molecular Weight1
- 218.29
- 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 | 0.5962 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -14.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.933 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | 1579.00 | NIST | |
| Tboil | 561.25 | K | Relay (1.0) Calculated Property |
| Tc | 769.85 | K | Relay (1.0) Calculated Property |
| Tfus | 332.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-.](data:image/png;base64,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)
Find more compounds similar to Acetone, isopropylhydrazone, N-benzoyl.
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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