- InChI
- InChI=1S/C9H9NO3/c1-11-10-5-7-2-3-8-9(4-7)13-6-12-8/h2-5H,6H2,1H3
- InChI Key
- ABHAGWDDCROTGV-UHFFFAOYSA-N
- Formula
- C9H9NO3
- SMILES
- CON=Cc1ccc2c(c1)OCO2
- Molecular Weight1
- 179.17
- 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 | 0.6112 | Relay (1.0) Calculated Property | |
| ΔfG° | 17.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -163.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.396 | Crippen Calculated Property | |
| McVol | 126.340 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Inp | 1419.00 | NIST | |
| Tboil | 549.20 | K | Relay (1.0) Calculated Property |
| Tc | 783.21 | K | Relay (1.0) Calculated Property |
| Tfus | 348.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzaldehyde, 3-methoxy-4-[(trimethylsilyl)oxy]-, O-methyloxime.](data:image/png;base64,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)
Find more compounds similar to Benzaldehyde, 3,4-methylenedioxy, methoxime.
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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