- InChI
- InChI=1S/C15H26N2O3/c1-6-10-11(5)15(7-2)12(18)16(8-3)14(20)17(9-4)13(15)19/h11H,6-10H2,1-5H3
- InChI Key
- SABMZHKJZHPCMB-UHFFFAOYSA-N
- Formula
- C15H26N2O3
- SMILES
-
CCCC(C)C1(CC)C(=O)N(CC)C(=O)N(
CC)C1=O - Molecular Weight1
- 282.38
- Other Names
-
- Pentobarbital, 1,3-diethyl
- Pentobarbital perethylated
- 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 | 0.6771 | Relay (... Calculated Property | |
| ΔfG° | -154.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -643.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -2.86 | Relay (... Calculated Property | |
| logPoct/wat | 2.650 | Crippen Calculated Property | |
| McVol | 236.020 | ml/mol | McGowan Calculated Property |
| Pc | 1513.79 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1744.00; 1744.00] |
|
|
| Inp | 1744.00 | NIST | |
| Inp | 1744.00 | NIST | |
| Tboil | 575.48 | K | Relay (... Calculated Property |
| Tc | 822.79 | K | Relay (... Calculated Property |
| Tfus | 330.16 | K | Relay (... Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pentobarbital ethylated.
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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