- InChI
- InChI=1S/C10H13NO4/c1-13-8-4-7(6-11-15-3)5-9(14-2)10(8)12/h4-6,12H,1-3H3/b11-6+
- InChI Key
- MJTDYYTTXGODPQ-IZZDOVSWSA-N
- Formula
- C10H13NO4
- SMILES
- CON=Cc1cc(OC)c(O)c(OC)c1
- Molecular Weight1
- 211.21
- 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 | 0.7986 | Relay (... Calculated Property | |
| ΔfG° | -118.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -365.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.69 | kJ/mol | Relay (... Calculated Property |
| IE | 7.77 | eV | Relay (... Calculated Property |
| log10WS | -1.61 | Relay (... Calculated Property | |
| logPoct/wat | 1.390 | Crippen Calculated Property | |
| McVol | 157.160 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Inp | 1776.00 | NIST | |
| Tboil | 576.01 | K | Relay (... Calculated Property |
| Tc | 797.63 | K | Relay (... Calculated Property |
| Tfus | 387.41 | K | Relay (... Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-hydroxy-3,5-dimethoxy, O-methyloxime.
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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