- InChI
- InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
- InChI Key
- VNHGETRQQSYUGZ-UHFFFAOYSA-N
- Formula
- C12H9NO3
- SMILES
- O=[N+]([O-])c1ccccc1Oc1ccccc1
- Molecular Weight1
- 215.20
- CAS
- 2216-12-8
- Other Names
-
- o-Nitrophenyl phenyl ether
- o-Nitro diphenyl ether
- Ether, o-nitrophenyl phenyl
- Ether, 2-nitrophenyl phenyl
- Phenyl o-nitrophenyl ether
- 1-Nitro-2-phenoxybenzene
- 2-Nitrodiphenyl ether
- 2-Nitrophenyl phenyl ether
- 2-NDE
- Ether, 2-nitrodiphenyl,
- 2-Phenoxynitrobenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6035 | Relay (... Calculated Property | |
| ΔfG° | 195.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -4.13 | Relay (... Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 155.710 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Tboil | 590.44 | K | Relay (... Calculated Property |
| Tc | 885.78 | K | Relay (... Calculated Property |
| Tfus | 319.01 | K | Relay (... Calculated Property |
| Vc | 0.553 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.49; 459.47] | J/mol×K | [706.56; 976.45] | 
|
| Cp,gas | 397.49 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 410.79 | J/mol×K | 751.54 | Joback Calculated Property |
| Cp,gas | 422.81 | J/mol×K | 796.52 | Joback Calculated Property |
| Cp,gas | 433.62 | J/mol×K | 841.51 | Joback Calculated Property |
| Cp,gas | 443.29 | J/mol×K | 886.49 | Joback Calculated Property |
| Cp,gas | 451.88 | J/mol×K | 931.47 | Joback Calculated Property |
| Cp,gas | 459.47 | J/mol×K | 976.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 508.20 | K | 8.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-nitro-2-phenoxy-.
Sources
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