- InChI
- InChI=1S/C12H14N2O2/c1-15-12(16-2,14-9-8-13-10-14)11-6-4-3-5-7-11/h3-10H,1-2H3
- InChI Key
- KDFJJNPLCGDESX-UHFFFAOYSA-N
- Formula
- C12H14N2O2
- SMILES
- COC(OC)(c1ccccc1)n1ccnc1
- Molecular Weight1
- 218.25
- CAS
- 111456-85-0
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid 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 | 0.5195 | Relay (1.0) Calculated Property | |
| ΔfG° | 164.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -77.50 ± 3.70 | kJ/mol | NIST |
| ΔfH°liquid | -163.10 ± 3.60 | kJ/mol | NIST |
| ΔvapH° | 85.60 ± 1.20 | kJ/mol | NIST |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.834 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2687.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 580.59 | K | Relay (1.0) Calculated Property |
| Tc | 825.14 | K | Relay (1.0) Calculated Property |
| Tfus | 335.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(Dimethoxy-phenylmethyl)-1H-imidazole.
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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