- InChI
- InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H
- InChI Key
- VTWKXBJHBHYJBI-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- ON=Cc1ccccc1
- Molecular Weight1
- 121.14
- CAS
- 622-31-1
- Other Names
-
- (E)-Benzaldehyde oxime
- (E)-Benzaldoxime
- syn-Benzaldoxime
- syn-Benzaldehyde oxime
- Benzaldehyde oxime, trans
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5959 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 106.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.495 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 512.20 | K | Relay (1.0) Calculated Property |
| Tc | 758.73 | K | Relay (1.0) Calculated Property |
| Tfus | 308.00 | K | NIST |
| Vc | 0.342 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [377.20; 391.50] | K | [0.80; 1.30] |
|
| Tboilr | 377.20 | K | 0.80 | NIST |
| Tboilr | 391.50 ± 0.50 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, oxime, (E)-.
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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