Chemical Properties of Benzene, 1-methyl-2-nitro- (CAS 88-72-2)

Benzene, 1-methyl-2-nitro-

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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

Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
Δcliquid [-3754.00; -3745.30] kJ/mol Show Hide
Δcliquid -3745.30 ± 3.80 kJ/mol NIST
Δcliquid -3754.00 kJ/mol NIST
EA [0.88; 1.24] eV Show Hide
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
Δf 146.39 kJ/mol Joback Calculated Property
Δfgas 26.49 kJ/mol Joback Calculated Property
Δfus 18.90 kJ/mol Joback Calculated Property
Δvap [59.10; 59.60] kJ/mol Show Hide
Δvap 59.60 ± 1.60 kJ/mol NIST
Δvap 59.10 ± 0.30 kJ/mol NIST
IE [9.24; 10.20] eV Show Hide
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]   Show Hide
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]   Show Hide
Inp 1155.00 NIST
Inp 1155.00 NIST
Inp 194.65 NIST
Inp 194.65 NIST
I [1877.00; 1877.00]   Show Hide
I 1877.00 NIST
I 1877.00 NIST
Tboil [494.85; 498.85] K Show Hide
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 Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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] Show Hide
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 1153.24 kg/m3 303.15 Volumet...
ρl 1153.26 kg/m3 303.15 Excess ...
ρl 1149.78 kg/m3 308.15 Thermod...
ρl 1144.91 kg/m3 313.15 Thermod...
csound,fluid [1403.00; 1439.00] m/s [303.15; 313.15] Show Hide
csound,fluid 1439.00 m/s 303.15 Thermod...
csound,fluid 1403.00 m/s 313.15 Thermod...

Datasets

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
303.15 100.00 0.0019
Reference
Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Viscosity, Pa*s - Liquid
101.00 303.15 0.0019
Reference
Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
303.15 101.00 0.0019
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [381.70; 524.76] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40926e+01
Coefficient B-3.45189e+03
Coefficient C-1.31655e+02
Temperature range, min.381.70
Temperature range, max.524.76
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... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A4.91453e+01
Coefficient B-7.84782e+03
Coefficient C-4.67886e+00
Coefficient D1.48976e-06
Temperature range, min.269.98
Temperature range, max.720.00
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

Benzene, 2,4-dimethyl-1-nitro-. Benzene, 1,4-dimethyl-2-nitro-. Benzene, 1-methyl-2,4-dinitro-. Benzene, 1-(chloromethyl)-2-nitro-. Benzene, 1-methyl-2-nitroso-. 2-Nitrobenzyl bromide. Benzene, 1,3-dimethyl-2-nitro-. Benzene, 2-methyl-1,3-dinitro-. Benzene, 2-methyl-1,4-dinitro-. Benzene, 1,2-dimethyl-3-nitro-. Benzene, 4-fluoro-2-methyl-1-nitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Benzaldehyde, 2-nitro-. Benzene, 1-methyl-2,3-dinitro-. Benzene, 4-fluoro-1-methyl-2-nitro-.

Find more compounds similar to Benzene, 1-methyl-2-nitro-.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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