- InChI
- InChI=1S/C11H19NO/c1-4-6-8-11-12-10(7-5-2)9(3)13-11/h4-8H2,1-3H3
- InChI Key
- JIJACJIEHHDTAK-UHFFFAOYSA-N
- Formula
- C11H19NO
- SMILES
- CCCCc1nc(CCC)c(C)o1
- Molecular Weight1
- 181.27
- 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 | 0.5748 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -240.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.278 | Crippen Calculated Property | |
| McVol | 162.240 | ml/mol | McGowan Calculated Property |
| Pc | 2261.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1285.00 | NIST | |
| Tboil | 486.54 | K | Relay (1.0) Calculated Property |
| Tc | 691.67 | K | Relay (1.0) Calculated Property |
| Tfus | 220.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-butyl-4-propyl-5-methyloxazole.
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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