- InChI
- InChI=1S/C19H34N2O3/c1-5-9-12-13-19(8-4)16(22)20(14-10-6-2)18(24)21(17(19)23)15-11-7-3/h5-15H2,1-4H3
- InChI Key
- FSHNSRQEOYUPEG-UHFFFAOYSA-N
- Formula
- C19H34N2O3
- SMILES
-
CCCCCC1(CC)C(=O)N(CCCC)C(=O)N(
CCCC)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 | 0.8760 | Relay (... Calculated Property | |
| ΔfG° | -128.82 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -737.50 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 91.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -4.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.354 | Crippen Calculated Property | |
| McVol | 292.380 | ml/mol | McGowan Calculated Property |
| Pc | 1148.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1963.00 | NIST | |
| Tboil | 621.87 | K | Relay (... Calculated Property |
| Tc | 855.99 | K | Relay (... Calculated Property |
| Tfus | 332.11 | K | Relay (... Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Butethal 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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