- InChI
- InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
- InChI Key
- WGYFINWERLNPHR-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- COc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 153.14
- CAS
- 555-03-3
- Other Names
-
- Anisole, m-nitro-
- m-Methoxynitrobenzene
- m-Nitroanisole
- 1-Methoxy-3-nitrobenzene
- 3-Methoxynitrobenzene
- 3-Nitroanisole
- Methyl m-nitrophenyl ether
- NSC 4956
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| EA | 1.04 ± 0.10 | 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 | [8.70; 9.10] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 9.10 ± 0.10 | eV | NIST |
| IE | 9.01 | eV | NIST |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.603 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Inp | [228.00; 1346.10] |
|
|
| Inp | 1346.10 | NIST | |
| Inp | 1273.00 | NIST | |
| Inp | 228.00 | NIST | |
| Inp | 228.00 | NIST | |
| Inp | 1346.10 | NIST | |
| Tboil | 531.20 | K | NIST |
| Tc | 811.60 | K | Joback Calculated Property |
| Tfus | 311.15 ± 1.50 | 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-3-nitro-.
Sources
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