- InChI
- InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
- InChI Key
- CVYZVNVPQRKDLW-UHFFFAOYSA-N
- Formula
- C7H6N2O5
- SMILES
-
COc1ccc([N+](=O)[O-])cc1[N+](=
O)[O-] - Molecular Weight1
- 198.13
- CAS
- 119-27-7
- Other Names
-
- 1-Methoxy-2,4-dinitrobenzene
- 2,4-Dinitro-1-methoxy-benzene
- 2,4-Dinitroanisol
- 2,4-Dinitroanisole
- 2,4-Dinitrophenyl methyl ether
- 2,4-Nitroanisole
- Anisole, 2,4-dinitro-
- Dinitroanisole
- NSC 8733
- «alpha»-Dinitroanisole
- «alpha»-Dinitroanisole
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3425.40; -3425.40] | kJ/mol |
|
| ΔcH°solid | -3425.40 ± 3.40 | kJ/mol | NIST |
| ΔcH°solid | -3425.40 ± 3.40 | kJ/mol | NIST |
| ΔfG° | 67.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.37 | kJ/mol | Joback Calculated Property |
| IE | 9.30 | eV | NIST |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 1.512 | Crippen Calculated Property | |
| McVol | 126.440 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 722.30 | K | Joback Calculated Property |
| Tc | 991.11 | K | Joback Calculated Property |
| Tfus | 359.90 ± 1.50 | K | NIST |
| Vc | 0.501 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.54; 365.88] | J/mol×K | [722.30; 991.11] |
|
| Cp,gas | 321.54 | J/mol×K | 722.30 | Joback Calculated Property |
| Cp,gas | 331.13 | J/mol×K | 767.10 | Joback Calculated Property |
| Cp,gas | 339.81 | J/mol×K | 811.90 | Joback Calculated Property |
| Cp,gas | 347.61 | J/mol×K | 856.71 | Joback Calculated Property |
| Cp,gas | 354.55 | J/mol×K | 901.51 | Joback Calculated Property |
| Cp,gas | 360.63 | J/mol×K | 946.31 | Joback Calculated Property |
| Cp,gas | 365.88 | J/mol×K | 991.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-2,4-dinitro-.
Mixtures
- Benzene, 1-methoxy-2,4-dinitro- + Water
- Benzene, 1-methoxy-2,4-dinitro- + sodium chloride + Water
- Benzene, 1-methoxy-2,4-dinitro- + 1-Octanol + Water
Sources
- Crippen Method
- Crippen Method
- Thermophysical Properties of an Insensitive Munitions Compound, 2,4-Dinitroanisole
- Joback Method
- McGowan Method
- NIST Webbook
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