- InChI
- InChI=1S/C14H14NO3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
- InChI Key
- NJQKHLCMLSKSKD-UHFFFAOYSA-N
- Formula
- C14H14NO3
- SMILES
- COc1ccc(N([O])c2ccc(OC)cc2)cc1
- Molecular Weight1
- 244.27
- CAS
- 2643-00-7
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.7323 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -107.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.187 | Crippen Calculated Property | |
| McVol | 186.040 | ml/mol | McGowan Calculated Property |
| Pc | 3079.93 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 638.69 | K | Relay (1.0) Calculated Property |
| Tc | 889.79 | K | Relay (1.0) Calculated Property |
| Tfus | 355.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [100.70; 100.70] | kJ/mol | [328.00; 345.50] | 
|
| ΔsubH | 100.70 ± 2.60 | kJ/mol | 328.00 | NIST |
| ΔsubH | 100.70 | kJ/mol | 345.50 | NIST |
Similar Compounds
Find more compounds similar to 4,4'-Dimethoxydiphenylnitrogen oxide.
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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