- InChI
- InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)
- InChI Key
- VEMDQCGHZNXORX-UHFFFAOYSA-N
- Formula
- C11H11N3O3
- SMILES
-
CC(=O)CC(O)=Nc1ccc2nc(O)[nH]c2
c1 - Molecular Weight1
- 233.22
- CAS
- 26576-46-5
- Other Names
-
- (2H)Benzimidazol-2-one,1,3-dihydro-5-acetoacetyl-amino-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 | 0.9274 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5590.00 ± 0.56 | kJ/mol | NIST |
| ΔfG° | -7.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -373.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -310.70 ± 0.56 | kJ/mol | NIST |
| ΔvapH° | 154.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.354 | Crippen Calculated Property | |
| McVol | 165.880 | ml/mol | McGowan Calculated Property |
| Pc | 5247.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 635.88 | K | Relay (1.0) Calculated Property |
| Tc | 1013.96 | K | Relay (1.0) Calculated Property |
| Tfus | 554.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide.
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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