- InChI
- InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
- InChI Key
- PLAZTCDQAHEYBI-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- Cc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 137.14
- CAS
- 88-72-2
- Other Names
-
- 1-Methyl-2-Nitrobenzene
- 2-Methyl-1-nitrobenzene
- 2-Methylnitrobenzene
- 2-NT
- 2-NT (2-nitrotoluene)
- 2-Nitrotoluene
- NSC 9577
- ONT
- Toluene, o-nitro-
- o-Methylnitrobenzene
- o-Nitrotoluene
- o-mononitrotoluene
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | [-3754.00; -3745.30] | kJ/mol |
|
| ΔcH°liquid | -3745.30 ± 3.80 | kJ/mol | NIST |
| ΔcH°liquid | -3754.00 | kJ/mol | NIST |
| EA | [0.88; 1.24] | eV |
|
| EA | 0.92 ± 0.10 | eV | NIST |
| EA | 0.95 ± 0.05 | eV | NIST |
| EA | 0.88 ± 0.03 | eV | NIST |
| EA | 1.24 ± 0.05 | eV | NIST |
| ΔfG° | 146.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [59.10; 59.60] | kJ/mol |
|
| ΔvapH° | 59.60 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 59.10 ± 0.30 | kJ/mol | NIST |
| IE | [9.24; 10.20] | eV |
|
| IE | 9.24 | eV | NIST |
| IE | 9.24 | eV | NIST |
| IE | 9.51 ± 0.03 | eV | NIST |
| IE | 9.50 | eV | NIST |
| IE | 9.43 ± 0.05 | eV | NIST |
| IE | 9.63 | eV | NIST |
| IE | Outlier 10.20 ± 0.10 | eV | NIST |
| IE | 9.69 ± 0.01 | eV | NIST |
| log10WS | [-2.33; -2.32] |
|
|
| log10WS | -2.32 | Aq. Sol... | |
| log10WS | -2.33 | Estimat... | |
| logPoct/wat | 1.903 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 4 | KDB | |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Inp | [194.65; 1155.00] |
|
|
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 194.65 | NIST | |
| Inp | 194.65 | NIST | |
| I | [1877.00; 1877.00] |
|
|
| I | 1877.00 | NIST | |
| I | 1877.00 | NIST | |
| Tboil | [494.85; 498.85] | K |
|
| Tboil | 494.85 | K | KDB |
| Tboil | 498.20 | K | NIST |
| Tboil | 494.90 | K | NIST |
| Tboil | 495.30 ± 0.07 | K | NIST |
| Tboil | 495.00 ± 0.30 | K | NIST |
| Tboil | 495.45 ± 0.40 | K | NIST |
| Tboil | 495.45 ± 0.50 | K | NIST |
| Tboil | 498.85 ± 1.00 | K | NIST |
| Tc | 793.00 | K | Joback Calculated Property |
| Tfus | [263.60; 282.60] | K |
|
| Tfus | 269.98 | K | KDB |
| Tfus | 270.05 ± 0.30 | K | NIST |
| Tfus | 270.25 ± 0.20 | K | NIST |
| Tfus | 269.06 ± 0.05 | K | NIST |
| Tfus | Outlier 282.60 ± 0.50 | K | NIST |
| Tfus | 263.60 ± 0.30 | K | NIST |
| Tfus | 269.30 ± 0.30 | K | NIST |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.40; 276.69] | J/mol×K | [543.06; 793.00] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 270 280 600 700 | ||||
| Cp,gas | 221.40 | J/mol×K | 543.06 | Joback Calculated Property |
| Cp,gas | 232.54 | J/mol×K | 584.72 | Joback Calculated Property |
| Cp,gas | 242.85 | J/mol×K | 626.37 | Joback Calculated Property |
| Cp,gas | 252.39 | J/mol×K | 668.03 | Joback Calculated Property |
| Cp,gas | 261.18 | J/mol×K | 709.68 | Joback Calculated Property |
| Cp,gas | 269.27 | J/mol×K | 751.34 | Joback Calculated Property |
| Cp,gas | 276.69 | J/mol×K | 793.00 | Joback Calculated Property |
| Cp,liquid | 202.50 | J/mol×K | 302.30 | NIST |
| ΔvapH | [51.00; 59.00] | kJ/mol | [298.50; 449.00] |
|
| ΔvapH | 59.00 ± 0.30 | kJ/mol | 298.50 | NIST |
| ΔvapH | 52.00 | kJ/mol | 418.00 | NIST |
| ΔvapH | 52.20 | kJ/mol | 440.00 | NIST |
| ΔvapH | 51.00 | kJ/mol | 449.00 | NIST |
| Pvap | [3.20e-03; 0.11] | kPa | [278.30; 323.00] |
|
|
T(K) Vapor pressure (kPa) 0 0.02 0.04 0.06 0.08 0.1 280 300 320 | ||||
| Pvap | 3.28e-03 | kPa | 278.30 | Benchma... |
| Pvap | 3.20e-03 | kPa | 278.40 | Benchma... |
| Pvap | 5.53e-03 | kPa | 283.15 | Gas Sat... |
| Pvap | 5.26e-03 | kPa | 283.30 | Benchma... |
| Pvap | 5.02e-03 | kPa | 283.30 | Benchma... |
| Pvap | 8.06e-03 | kPa | 288.30 | Benchma... |
| Pvap | 8.04e-03 | kPa | 288.30 | Benchma... |
| Pvap | 0.01 | kPa | 293.15 | Gas Sat... |
| Pvap | 0.01 | kPa | 293.20 | Benchma... |
| Pvap | 0.01 | kPa | 293.20 | Benchma... |
| Pvap | 0.02 | kPa | 298.20 | Benchma... |
| Pvap | 0.02 | kPa | 298.20 | Benchma... |
| Pvap | 0.03 | kPa | 303.10 | Benchma... |
| Pvap | 0.03 | kPa | 303.15 | Gas Sat... |
| Pvap | 0.03 | kPa | 303.20 | Benchma... |
| Pvap | 0.04 | kPa | 308.10 | Benchma... |
| Pvap | 0.04 | kPa | 308.20 | Benchma... |
| Pvap | 0.06 | kPa | 313.10 | Benchma... |
| Pvap | 0.06 | kPa | 313.10 | Benchma... |
| Pvap | 0.06 | kPa | 313.15 | Gas Sat... |
| Pvap | 0.08 | kPa | 318.00 | Benchma... |
| Pvap | 0.08 | kPa | 318.10 | Benchma... |
| Pvap | 0.11 | kPa | 323.00 | Benchma... |
| ρl | [1144.91; 1159.60] | kg/m3 | [298.15; 313.15] |
|
|
T(K) Liquid Density (kg/m3) 1145 1150 1155 1160 300 305 310 | ||||
| ρl | 1159.60 | kg/m3 | 298.15 | Thermod... |
| ρl | 1153.29 | kg/m3 | 303.15 | Thermod... |
| ρl | 1153.24 | kg/m3 | 303.15 | Effect ... |
| ρl | 1153.26 | kg/m3 | 303.15 | Excess ... |
| ρl | 1149.78 | kg/m3 | 308.15 | Thermod... |
| ρl | 1144.91 | kg/m3 | 313.15 | Thermod... |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Viscosity, Pa*s - Liquid |
| 101.00 | 303.15 | 0.0019 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [381.70; 524.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40926e+01 | |||
| Coefficient B | -3.45189e+03 | |||
| Coefficient C | -1.31655e+02 | |||
| Temperature range, min. | 381.70 | |||
| Temperature range, max. | 524.76 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 381.70 | Calculated Property |
| Pvap | 3.04 | kPa | 397.60 | Calculated Property |
| Pvap | 6.33 | kPa | 413.49 | Calculated Property |
| Pvap | 12.17 | kPa | 429.39 | Calculated Property |
| Pvap | 21.89 | kPa | 445.28 | Calculated Property |
| Pvap | 37.23 | kPa | 461.18 | Calculated Property |
| Pvap | 60.29 | kPa | 477.07 | Calculated Property |
| Pvap | 93.58 | kPa | 492.97 | Calculated Property |
| Pvap | 139.97 | kPa | 508.86 | Calculated Property |
| Pvap | 202.65 | kPa | 524.76 | Calculated Property |
| Pvap | [2.46e-03; 3768.68] | kPa | [269.98; 720.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.91453e+01 | |||
| Coefficient B | -7.84782e+03 | |||
| Coefficient C | -4.67886e+00 | |||
| Coefficient D | 1.48976e-06 | |||
| Temperature range, min. | 269.98 | |||
| Temperature range, max. | 720.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 600 | ||||
| Pvap | 2.46e-03 | kPa | 269.98 | Calculated Property |
| Pvap | 0.11 | kPa | 319.98 | Calculated Property |
| Pvap | 1.60 | kPa | 369.98 | Calculated Property |
| Pvap | 11.72 | kPa | 419.99 | Calculated Property |
| Pvap | 53.99 | kPa | 469.99 | Calculated Property |
| Pvap | 180.41 | kPa | 519.99 | Calculated Property |
| Pvap | 478.56 | kPa | 569.99 | Calculated Property |
| Pvap | 1071.05 | kPa | 620.00 | Calculated Property |
| Pvap | 2109.60 | kPa | 670.00 | Calculated Property |
| Pvap | 3768.68 | kPa | 720.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-nitro-.
Mixtures
- Benzene, 1-methyl-2-nitro- + Benzyl alcohol
- Benzene, 1-methyl-2-nitro- + N,N-Dimethylacetamide
- Benzene, 1-methyl-2-nitro- + Dimethyl Sulfoxide
- Benzene, 1-methyl-2-nitro- + 1H-Imidazole, 2-methyl-
- 1H-Benzimidazole + Benzene, 1-methyl-2-nitro-
- Benzene, 1-methyl-2-nitro- + 1H-Benzimidazole, 2-methyl-
- Benzene, 1-methyl-2-nitro- + 1H-Imidazole
- Benzene, 1-methyl-2-nitro- + 1H-Imidazole, 2-phenyl-
- Benzene, 1-methyl-2-nitro- + 1H-Imidazole, 4,5-diphenyl-
- Benzene, 1-methyl-2-nitro- + Acetophenone
- Benzene, 1-methyl-2-nitro- + Tetrahydrofuran
- Benzene, 1-methyl-2-nitro- + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
- Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
- Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
- Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
- Benchmark properties of 2-, 3- and 4-nitrotoluene: Evaluation of thermochemical data with complementary experimental and computational methods
- Solubility of Imidazoles, Benzimidazoles, and Phenylimidazoles in Dichloromethane, 1-Chlorobutane, Toluene, and 2-Nitrotoluene
- Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
- Assessing the Salting-Out Behavior of Nitrobenzene, 2-Nitrotoluene, and 3-Nitrotoluene from Solubility Values in Pure Water and Seawater at Temperatures between (277 and 314) K
- Gas Saturation Vapor Pressure Measurements of Mononitrotoluene Isomers from (283.15 to 313.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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