- InChI
- InChI=1S/C13H20N2O3/c1-6-8-9(3)13(7-2)10(16)14(4)12(18)15(5)11(13)17/h7,9H,2,6,8H2,1,3-5H3
- InChI Key
- XEXRWIKFWLENIF-UHFFFAOYSA-N
- Formula
- C13H20N2O3
- SMILES
-
C=CC1(C(C)CCC)C(=O)N(C)C(=O)N(
C)C1=O - Molecular Weight1
- 252.31
- 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 | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -492.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.645 | Crippen Calculated Property | |
| McVol | 203.540 | ml/mol | McGowan Calculated Property |
| Pc | 1879.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1629.00 | NIST | |
| Tboil | 564.98 | K | Relay (1.0) Calculated Property |
| Tc | 812.75 | K | Relay (1.0) Calculated Property |
| Tfus | 317.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Vinylbital, permethylated.
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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