- InChI
- InChI=1S/C16H12N2O2/c1-11-6-2-5-9-14(11)18-15(10-19)17-13-8-4-3-7-12(13)16(18)20/h2-10H,1H3
- InChI Key
- ZKMDXGXNOKMRKT-UHFFFAOYSA-N
- Formula
- C16H12N2O2
- SMILES
-
Cc1ccccc1-n1c(C=O)nc2ccccc2c1=
O - Molecular Weight1
- 264.28
- CAS
- 131147-51-8
- Other Names
-
- 2-Quinazolinecarboxaldehyde, 3,4-dihydro-3-(2-methylphenyl)-4-oxo-
- Methaqualone M (2-formyl)
- 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 | 0.6745 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 28.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 196.720 | ml/mol | McGowan Calculated Property |
| Pc | 3274.80 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2240.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Tboil | 670.40 | K | Relay (1.0) Calculated Property |
| Tc | 1023.14 | K | Relay (1.0) Calculated Property |
| Tfus | 434.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.726 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Formyl-2-desmethyl-methaqualone.
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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