- InChI
- InChI=1S/C14H18N2O/c1-4-14(3)10-11(2)15-16(14)13(17)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
- InChI Key
- SBXDTMIOGHVNGJ-UHFFFAOYSA-N
- Formula
- C14H18N2O
- SMILES
- CCC1(C)CC(C)=NN1C(=O)c1ccccc1
- Molecular Weight1
- 230.31
- 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 | 0.5652 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 0.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.077 | Crippen Calculated Property | |
| McVol | 190.730 | ml/mol | McGowan Calculated Property |
| Pc | 2259.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1789.00; 1789.00] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Tboil | 579.23 | K | Relay (1.0) Calculated Property |
| Tc | 820.45 | K | Relay (1.0) Calculated Property |
| Tfus | 337.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrazoline, 5-ethyl-3,5-dimethyl, 1-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
- McGowan Method
- NIST Webbook
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