- InChI
- InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3
- InChI Key
- JBORNNNGTJSTLC-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- COc1ccc(C)c([N+](=O)[O-])c1
- Molecular Weight1
- 167.16
- CAS
- 17484-36-5
- Other Names
-
- Anisole, 4-methyl-3-nitro-
- 4-Methoxy-2-nitrotoluene
- 4-Methyl-3-nitroanisole
- 2-Nitro-4-methoxytoluene
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 1.912 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Tboil | 539.70 | K | NIST |
| Tc | 835.30 | K | Joback Calculated Property |
| Tfus | 397.22 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.57; 346.11] | J/mol×K | [593.34; 835.30] | 
|
| Cp,gas | 286.57 | J/mol×K | 593.34 | Joback Calculated Property |
| Cp,gas | 298.32 | J/mol×K | 633.67 | Joback Calculated Property |
| Cp,gas | 309.33 | J/mol×K | 673.99 | Joback Calculated Property |
| Cp,gas | 319.61 | J/mol×K | 714.32 | Joback Calculated Property |
| Cp,gas | 329.15 | J/mol×K | 754.64 | Joback Calculated Property |
| Cp,gas | 337.99 | J/mol×K | 794.97 | Joback Calculated Property |
| Cp,gas | 346.11 | J/mol×K | 835.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-methoxy-1-methyl-2-nitro-.
Sources
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