- InChI
- InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
- InChI Key
- KZBOXYKTSUUBTO-UHFFFAOYSA-N
- Formula
- C7H6N2O4
- SMILES
-
Cc1cc([N+](=O)[O-])ccc1[N+](=O
)[O-] - Molecular Weight1
- 182.13
- CAS
- 619-15-8
- Other Names
-
- 1-METHYL-2,5-DINITROBENZENE
- 2,5-DINITROTOLUENE
- 2,5-DNT
- Toluene, 2,5-dinitro-
- 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).
- 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).
- Pvap : Vapor 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 | -3578.00 | kJ/mol | NIST |
| ΔfG° | 172.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 4.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 1.811 | Crippen Calculated Property | |
| McVol | 120.570 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Tboil | 699.88 | K | Joback Calculated Property |
| Tc | 974.05 | K | Joback Calculated Property |
| Tfus | 507.33 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.55; 345.36] | J/mol×K | [699.88; 974.05] | 
|
| Cp,gas | 299.55 | J/mol×K | 699.88 | Joback Calculated Property |
| Cp,gas | 309.27 | J/mol×K | 745.58 | Joback Calculated Property |
| Cp,gas | 318.09 | J/mol×K | 791.27 | Joback Calculated Property |
| Cp,gas | 326.05 | J/mol×K | 836.97 | Joback Calculated Property |
| Cp,gas | 333.22 | J/mol×K | 882.66 | Joback Calculated Property |
| Cp,gas | 339.64 | J/mol×K | 928.36 | Joback Calculated Property |
| Cp,gas | 345.36 | J/mol×K | 974.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [453.04; 627.20] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55593e+01 | |||
| Coefficient B | -5.42545e+03 | |||
| Coefficient C | -9.77740e+01 | |||
| Temperature range, min. | 453.04 | |||
| Temperature range, max. | 627.20 | |||
| Pvap | 1.33 | kPa | 453.04 | Calculated Property |
| Pvap | 2.93 | kPa | 472.39 | Calculated Property |
| Pvap | 5.98 | kPa | 491.74 | Calculated Property |
| Pvap | 11.39 | kPa | 511.09 | Calculated Property |
| Pvap | 20.49 | kPa | 530.44 | Calculated Property |
| Pvap | 35.05 | kPa | 549.80 | Calculated Property |
| Pvap | 57.36 | kPa | 569.15 | Calculated Property |
| Pvap | 90.31 | kPa | 588.50 | Calculated Property |
| Pvap | 137.38 | kPa | 607.85 | Calculated Property |
| Pvap | 202.65 | kPa | 627.20 | Calculated Property |
| Pvap | [2.18e-04; 3337.49] | kPa | [325.65; 814.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.22766e+02 | |||
| Coefficient B | -1.51698e+04 | |||
| Coefficient C | -1.46922e+01 | |||
| Coefficient D | 3.69650e-06 | |||
| Temperature range, min. | 325.65 | |||
| Temperature range, max. | 814.00 | |||
| Pvap | 2.18e-04 | kPa | 325.65 | Calculated Property |
| Pvap | 0.02 | kPa | 379.91 | Calculated Property |
| Pvap | 0.49 | kPa | 434.17 | Calculated Property |
| Pvap | 5.09 | kPa | 488.43 | Calculated Property |
| Pvap | 29.73 | kPa | 542.69 | Calculated Property |
| Pvap | 116.92 | kPa | 596.96 | Calculated Property |
| Pvap | 347.57 | kPa | 651.22 | Calculated Property |
| Pvap | 844.64 | kPa | 705.48 | Calculated Property |
| Pvap | 1772.00 | kPa | 759.74 | Calculated Property |
| Pvap | 3337.49 | kPa | 814.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-methyl-1,4-dinitro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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