- InChI
- InChI=1S/C16H14N2O2/c1-11-6-2-5-9-14(11)18-15(10-19)17-13-8-4-3-7-12(13)16(18)20/h2-9,19H,10H2,1H3
- InChI Key
- CNRIAQQRQYWDQL-UHFFFAOYSA-N
- Formula
- C16H14N2O2
- SMILES
- Cc1ccccc1-n1c(CO)nc2ccccc2c1=O
- Molecular Weight1
- 266.29
- CAS
- 5060-49-1
- Other Names
-
- 2-(Hydroxymethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone
- Methaqualone, (2-hydroxymethyl)-
- 2-Hydroxymethaqualone
- 4(3H)-Quinazolinone, 2-(hydroxymethyl)-3-o-tolyl-
- Methaqualone M (2-hydroxymethyl)
- 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 | 0.8347 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -50.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 127.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.186 | Crippen Calculated Property | |
| McVol | 201.020 | ml/mol | McGowan Calculated Property |
| Pc | 2862.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2440.00 | NIST | |
| Tboil | 689.91 | K | Relay (1.0) Calculated Property |
| Tc | 1031.35 | K | Relay (1.0) Calculated Property |
| Tfus | 422.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hydroxymethyl-methaqualon.
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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