- InChI
- InChI=1S/C13H22N2O3/c1-5-8-9-15-11(17)13(6-2,7-3)10(16)14(4)12(15)18/h5-9H2,1-4H3
- InChI Key
- DWNGAZYRZIXVOL-UHFFFAOYSA-N
- Formula
- C13H22N2O3
- SMILES
-
CCCCN1C(=O)N(C)C(=O)C(CC)(CC)C
1=O - Molecular Weight1
- 254.33
- 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 | 0.6659 | Relay (... Calculated Property | |
| ΔfG° | -158.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -623.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -2.30 | Relay (... Calculated Property | |
| logPoct/wat | 2.013 | Crippen Calculated Property | |
| McVol | 207.840 | ml/mol | McGowan Calculated Property |
| Pc | 1813.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1657.00; 1657.00] |
|
|
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Tboil | 570.43 | K | Relay (... Calculated Property |
| Tc | 810.63 | K | Relay (... Calculated Property |
| Tfus | 340.61 | K | Relay (... Calculated Property |
| Vc | 0.752 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Metharbital perbutylated.
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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