- InChI
- InChI=1S/C13H14N2O4/c1-8(16)13(9-6-4-3-5-7-9)10(17)14-12(19)15(2)11(13)18/h3-8,16H,1-2H3,(H,14,17,19)
- InChI Key
- QQTAUICLIXCZDS-UHFFFAOYSA-N
- Formula
- C13H14N2O4
- SMILES
-
CC(O)C1(c2ccccc2)C(=O)NC(=O)N(
C)C1=O - Molecular Weight1
- 262.26
- 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 | 0.7303 | Relay (... Calculated Property | |
| ΔfG° | -235.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -611.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -1.84 | Relay (... Calculated Property | |
| logPoct/wat | 0.013 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2355.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2330.00; 2330.00] |
|
|
| Inp | 2330.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Tboil | 605.23 | K | Relay (... Calculated Property |
| Tc | 946.48 | K | Relay (... Calculated Property |
| Tfus | 469.79 | K | Relay (... Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Mephobarbital M (OH).
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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