- InChI
- InChI=1S/C16H13ClN2O/c1-10-13(17)7-5-9-15(10)19-11(2)18-14-8-4-3-6-12(14)16(19)20/h3-9H,1-2H3
- InChI Key
- MCCICLHYQKULJG-UHFFFAOYSA-N
- Formula
- C16H13ClN2O
- SMILES
-
Cc1c(Cl)cccc1-n1c(C)nc2ccccc2c
1=O - Molecular Weight1
- 284.74
- CAS
- 1915-77-1
- 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).
- 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 | 0.6283 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 44.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 112.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.656 | Crippen Calculated Property | |
| McVol | 207.390 | ml/mol | McGowan Calculated Property |
| Pc | 2566.63 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 673.86 | K | Relay (1.0) Calculated Property |
| Tc | 1003.89 | K | Relay (1.0) Calculated Property |
| Tfus | 443.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinazolinone, 4(3h)-, 3-(3-chloro-o-tolyl)-2-methyl-.
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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