- InChI
- InChI=1S/C16H28N2O3/c1-5-9-11-17-13(19)16(7-3,8-4)14(20)18(15(17)21)12-10-6-2/h5-12H2,1-4H3
- InChI Key
- LWQHYRGKDABXIQ-UHFFFAOYSA-N
- Formula
- C16H28N2O3
- SMILES
-
CCCCN1C(=O)N(CCCC)C(=O)C(CC)(C
C)C1=O - Molecular Weight1
- 296.41
- 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 | 0.7754 | Relay (... Calculated Property | |
| ΔfG° | -150.33 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -678.87 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -3.28 | Relay (... Calculated Property | |
| logPoct/wat | 3.184 | Crippen Calculated Property | |
| McVol | 250.110 | ml/mol | McGowan Calculated Property |
| Pc | 1467.80 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1840.00; 1840.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Tboil | 597.67 | K | Relay (... Calculated Property |
| Tc | 831.32 | K | Relay (... Calculated Property |
| Tfus | 346.99 | K | Relay (... Calculated Property |
| Vc | 0.909 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Barbital 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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