- InChI
- InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
- InChI Key
- BNUHAJGCKIQFGE-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- COc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 153.14
- CAS
- 100-17-4
- Other Names
-
- 1-Methoxy-4-nitrobenzene
- 4-Methoxy-1-nitrobenzene
- 4-Methoxynitrobenzene
- 4-Nitro-1-methoxybenzene
- 4-Nitroanisole
- 4-Nitrophenyl methyl ether
- 721942-42-3
- Anisole, p-nitro-
- Methyl 4-nitrophenyl ether
- Methyl p-nitrophenyl ether
- NSC 5507
- Nitroanisole
- Phenol, 4-nitro-, methylated
- UN 2730
- anisole, 4-nitro-
- p-Methoxynitrobenzene
- p-Nitroanisol
- p-Nitroanisole
- p-Nitromethoxybenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- Psub : Sublimation 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 |
|---|---|---|---|
| EA | [0.87; 0.91] | eV |
|
| EA | 0.91 ± 0.10 | eV | NIST |
| EA | 0.87 ± 0.09 | eV | NIST |
| ΔfG° | 41.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.12 | kJ/mol | Joback Calculated Property |
| IE | [8.60; 9.08] | eV |
|
| IE | 8.79 | eV | NIST |
| IE | 8.60 ± 0.10 | eV | NIST |
| IE | 9.00 ± 0.10 | eV | NIST |
| IE | 9.07 | eV | NIST |
| IE | 9.08 ± 0.01 | eV | NIST |
| log10WS | [-2.41; -2.41] |
|
|
| log10WS | -2.41 | Aq. Sol... | |
| log10WS | -2.41 | Estimat... | |
| logPoct/wat | 1.603 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Inp | [1414.00; 1463.00] |
|
|
| Inp | 1414.00 | NIST | |
| Inp | 1424.30 | NIST | |
| Inp | 1463.00 | NIST | |
| Tboil | 547.20 | K | NIST |
| Tc | 811.60 | K | Joback Calculated Property |
| Tfus | [324.48; 327.10] | K |
|
| Tfus | 324.48 | K | Aq. Sol... |
| Tfus | 327.10 ± 0.40 | K | NIST |
| Vc | 0.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.84; 297.83] | J/mol×K | [565.48; 811.60] |
|
| Cp,gas | 242.84 | J/mol×K | 565.48 | Joback Calculated Property |
| Cp,gas | 253.81 | J/mol×K | 606.50 | Joback Calculated Property |
| Cp,gas | 264.03 | J/mol×K | 647.52 | Joback Calculated Property |
| Cp,gas | 273.53 | J/mol×K | 688.54 | Joback Calculated Property |
| Cp,gas | 282.32 | J/mol×K | 729.56 | Joback Calculated Property |
| Cp,gas | 290.41 | J/mol×K | 770.58 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 811.60 | Joback Calculated Property |
| Psub | [5.78e-04; 4.29e-03] | kPa | [303.15; 321.15] |
|
| Psub | 5.78e-04 | kPa | 303.15 | Triacet... |
| Psub | 8.61e-04 | kPa | 307.15 | Triacet... |
| Psub | 1.41e-03 | kPa | 311.15 | Triacet... |
| Psub | 1.75e-03 | kPa | 313.15 | Triacet... |
| Psub | 2.79e-03 | kPa | 317.15 | Triacet... |
| Psub | 4.29e-03 | kPa | 321.15 | Triacet... |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-4-nitro-.
Sources
- Crippen Method
- Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.