- InChI
- InChI=1S/C9H11NO2/c1-2-7-3-4-9(11)8(5-7)6-10-12/h3-6,11-12H,2H2,1H3
- InChI Key
- ZKNUMEVCQQDQKY-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CCc1ccc(O)c(C=NO)c1
- Molecular Weight1
- 165.19
- 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 | 0.7616 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -151.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.763 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Inp | 1693.00 | NIST | |
| Tboil | 557.44 | K | Relay (1.0) Calculated Property |
| Tc | 813.29 | K | Relay (1.0) Calculated Property |
| Tfus | 362.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to benzaldehyde oxime, 2-hydroxy, 5-ethyl-.
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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