- InChI
- InChI=1S/C9H14N2O3/c1-11(2)6-10-7-4-3-5-8(12)14-9(7)13/h6-7H,3-5H2,1-2H3
- InChI Key
- YAMSMQZMXXMHSC-UHFFFAOYSA-N
- Formula
- C9H14N2O3
- SMILES
- CN(C)C=NC1CCCC(=O)OC1=O
- Molecular Weight1
- 198.22
- 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 | 0.5374 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.68 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -468.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.199 | Crippen Calculated Property | |
| McVol | 151.480 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | [1691.00; 1691.00] |
|
|
| Inp | 1691.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Tboil | 609.44 | K | Relay (1.0) Calculated Property |
| Tc | 812.01 | K | Relay (1.0) Calculated Property |
| Tfus | 386.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N'-(2,7-Dioxooxepan-3-yl)-N,N-dimethylimidoformamide.
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
- Joback Method
- McGowan Method
- NIST Webbook
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