- InChI
- InChI=1S/C19H34N2O3/c1-6-9-13-20-16(22)19(8-3,12-11-15(4)5)17(23)21(18(20)24)14-10-7-2/h15H,6-14H2,1-5H3
- InChI Key
- ZIZXHFVRSVUKJC-UHFFFAOYSA-N
- Formula
- C19H34N2O3
- SMILES
-
CCCCN1C(=O)N(CCCC)C(=O)C(CC)(C
CC(C)C)C1=O - Molecular Weight1
- 338.48
- 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 | 0.8397 | Relay (... Calculated Property | |
| ΔfG° | -139.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -746.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 89.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -4.24 | Relay (... Calculated Property | |
| logPoct/wat | 4.210 | Crippen Calculated Property | |
| McVol | 292.380 | ml/mol | McGowan Calculated Property |
| Pc | 1095.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1990.00; 1998.00] |
|
|
| Inp | 1990.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1998.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Tboil | 624.18 | K | Relay (... Calculated Property |
| Tc | 849.24 | K | Relay (... Calculated Property |
| Tfus | 337.46 | K | Relay (... Calculated Property |
| Vc | 1.060 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Amobarbital 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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