- InChI
- InChI=1S/C9H16N2O2/c1-5-7-10-11(8(12)6-2)9(3,4)13-7/h5-6H2,1-4H3
- InChI Key
- LZTRDXAVIQISBL-UHFFFAOYSA-N
- Formula
- C9H16N2O2
- SMILES
- CCC(=O)N1N=C(CC)OC1(C)C
- Molecular Weight1
- 184.24
- 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 | 0.5220 | Relay (1.0) Calculated Property | |
| ΔfG° | -43.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -356.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.715 | Crippen Calculated Property | |
| McVol | 149.910 | ml/mol | McGowan Calculated Property |
| Pc | 2472.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1240.00 | NIST | |
| Tboil | 483.20 | K | Relay (1.0) Calculated Property |
| Tc | 699.20 | K | Relay (1.0) Calculated Property |
| Tfus | 332.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethyl-5,5-dimethyl-5-propionyl-1,3,4-oxadiazoline.
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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