- InChI
- InChI=1S/C11H18N2O2/c1-3-10(14)13-11(15-9(2)12-13)7-5-4-6-8-11/h3-8H2,1-2H3
- InChI Key
- OQMPPZLCWSURLX-UHFFFAOYSA-N
- Formula
- C11H18N2O2
- SMILES
- CCC(=O)N1N=C(C)OC12CCCCC2
- Molecular Weight1
- 210.27
- 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 | 0.5094 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -350.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.249 | Crippen Calculated Property | |
| McVol | 167.230 | ml/mol | McGowan Calculated Property |
| Pc | 2480.90 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1510.00; 1510.00] |
|
|
| Inp | 1510.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Tboil | 530.68 | K | Relay (1.0) Calculated Property |
| Tc | 786.37 | K | Relay (1.0) Calculated Property |
| Tfus | 343.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-5,5-pentamethylene-4-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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