- InChI
- InChI=1S/C19H13N3O4/c23-9-14-12-4-2-1-3-10(12)7-13(17(14)24)18(25)20-11-5-6-15-16(8-11)22-19(26)21-15/h1-9,24H,(H,20,25)(H2,21,22,26)
- InChI Key
- XIOIVLSJFCJVLX-UHFFFAOYSA-N
- Formula
- C19H13N3O4
- SMILES
-
O=Cc1c(O)c(C(O)=Nc2ccc3nc(O)[n
H]c3c2)cc2ccccc12 - Molecular Weight1
- 347.32
- CAS
- 55447-62-6
- 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 | 1.1817 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -9087.50 ± 5.30 | kJ/mol | NIST |
| ΔfG° | 58.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -304.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -247.14 | kJ/mol | NIST |
| ΔvapH° | 205.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.094 | Crippen Calculated Property | |
| McVol | 241.250 | ml/mol | McGowan Calculated Property |
| Pc | 5392.97 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 740.87 | K | Relay (1.0) Calculated Property |
| Tc | 1297.28 | K | Relay (1.0) Calculated Property |
| Tfus | 638.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-(1'-Formyl-2'-hydroxy-3'-naphthoylamino)-2-benzimidazolone.
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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