Chemical Properties of Benzene, 1-chloro-2-methyl- (CAS 95-49-8)

Benzene, 1-chloro-2-methyl-

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InChI
InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key
IBSQPLPBRSHTTG-UHFFFAOYSA-N
Formula
C7H7Cl
SMILES
Cc1ccccc1Cl
Molecular Weight1
126.58
CAS
95-49-8
Other Names
  • 1-Chloro-2-methylbenzene
  • 1-METHYL-2-CHLOROBENZENE
  • 2-Chloro-1-methylbenzene
  • 2-Chlorotoluene
  • 2-Methylchlorobenzene
  • Halso 99
  • NSC 8766
  • O-CHLOROTOLUENE
  • O-TOLYL CHLORIDE
  • Toluene, o-chloro-
  • ortho-Chlorotoluene
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Physical Properties

Property Value Unit Source
PAff 790.50 kJ/mol NIST
BasG 761.10 kJ/mol NIST
Δcliquid -3750.00 ± 10.00 kJ/mol NIST
Δf 98.91 kJ/mol Joback Calculated Property
Δfgas 21.51 kJ/mol Joback Calculated Property
Δfus 11.73 kJ/mol Joback Calculated Property
Δvap [38.50; 45.30] kJ/mol Show Hide
Δvap 45.30 kJ/mol NIST
Δvap 38.50 ± 0.04 kJ/mol NIST
IE [8.62; 8.97] eV Show Hide
IE 8.72 ± 0.11 eV NIST
IE 8.62 eV NIST
IE 8.70 ± 0.10 eV NIST
IE 8.83 ± 0.02 eV NIST
IE 8.97 eV NIST
log10WS [-3.52; -3.52]   Show Hide
log10WS -3.52 Aq. Sol...
log10WS -3.52 Estimat...
logPoct/wat 2.648 Crippen Calculated Property
McVol 97.970 ml/mol McGowan Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Inp [151.00; 996.00]   Show Hide
Inp 970.00 NIST
Inp 944.00 NIST
Inp 926.10 NIST
Inp 933.60 NIST
Inp 932.00 NIST
Inp 952.00 NIST
Inp 940.00 NIST
Inp 955.00 NIST
Inp 996.00 NIST
Inp 956.00 NIST
Inp 938.00 NIST
Inp 989.00 NIST
Inp 956.00 NIST
Inp 931.00 NIST
Inp 985.00 NIST
Inp Outlier 151.00 NIST
Inp 926.10 NIST
Inp 996.00 NIST
Inp 931.00 NIST
I [1277.00; 1291.00]   Show Hide
I 1277.00 NIST
I 1291.00 NIST
I 1277.00 NIST
I 1288.00 NIST
Tboil [157.20; 532.75] K Show Hide
Tboil 432.30 K KDB
Tboil 431.20 K NIST
Tboil 432.30 K NIST
Tboil 431.15 ± 1.50 K NIST
Tboil 532.75 ± 0.20 K NIST
Tboil 432.15 ± 3.00 K NIST
Tboil 432.35 ± 0.50 K NIST
Tboil 432.35 ± 0.30 K NIST
Tboil 432.10 ± 0.20 K NIST
Tboil 432.30 ± 0.20 K NIST
Tboil 432.50 ± 0.50 K NIST
Tboil 432.45 ± 0.50 K NIST
Tboil Outlier 157.20 ± 0.50 K NIST
Tboil 432.65 ± 0.30 K NIST
Tboil 432.25 ± 0.50 K NIST
Tc 649.87 K Joback Calculated Property
Tfus [236.65; 239.15] K Show Hide
Tfus 237.62 K Aq. Sol...
Tfus 238.05 ± 0.50 K NIST
Tfus 237.56 ± 0.30 K NIST
Tfus 236.65 ± 0.30 K NIST
Tfus 236.65 ± 0.60 K NIST
Tfus 236.70 ± 0.60 K NIST
Tfus 238.05 ± 0.60 K NIST
Tfus 239.15 ± 2.00 K NIST
Vc 0.368 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [163.77; 217.11] J/mol×K [428.65; 649.87] Show Hide
Cp,gas 163.77 J/mol×K 428.65 Joback Calculated Property
Cp,gas 174.12 J/mol×K 465.52 Joback Calculated Property
Cp,gas 183.86 J/mol×K 502.39 Joback Calculated Property
Cp,gas 193.00 J/mol×K 539.26 Joback Calculated Property
Cp,gas 201.57 J/mol×K 576.13 Joback Calculated Property
Cp,gas 209.60 J/mol×K 613.00 Joback Calculated Property
Cp,gas 217.11 J/mol×K 649.87 Joback Calculated Property
η [0.0002591; 0.0021341] Pa×s [237.51; 428.65] Show Hide
η 0.0021341 Pa×s 237.51 Joback Calculated Property
η 0.0012200 Pa×s 269.37 Joback Calculated Property
η 0.0007850 Pa×s 301.22 Joback Calculated Property
η 0.0005496 Pa×s 333.08 Joback Calculated Property
η 0.0004094 Pa×s 364.94 Joback Calculated Property
η 0.0003198 Pa×s 396.79 Joback Calculated Property
η 0.0002591 Pa×s 428.65 Joback Calculated Property
ΔfusH 10.30 kJ/mol 237.00 NIST
ΔvapH [41.60; 45.80] kJ/mol [310.50; 415.50] Show Hide
ΔvapH 45.80 kJ/mol 310.50 NIST
ΔvapH 44.80 kJ/mol 355.00 NIST
ΔvapH 42.50 kJ/mol 387.50 NIST
ΔvapH 41.60 kJ/mol 401.00 NIST
ΔvapH 42.80 kJ/mol 415.50 NIST
Pvap [0.09; 93.32] kPa [274.20; 428.76] Show Hide
Pvap 0.09 kPa 274.20 Vaporiz...
Pvap 0.11 kPa 277.10 Vaporiz...
Pvap 0.13 kPa 280.30 Vaporiz...
Pvap 0.16 kPa 283.20 Vaporiz...
Pvap 0.21 kPa 286.10 Vaporiz...
Pvap 0.23 kPa 288.20 Vaporiz...
Pvap 0.29 kPa 291.20 Vaporiz...
Pvap 0.35 kPa 294.10 Vaporiz...
Pvap 0.42 kPa 297.20 Vaporiz...
Pvap 0.43 kPa 297.20 Vaporiz...
Pvap 0.43 kPa 297.20 Vaporiz...
Pvap 0.50 kPa 300.20 Vaporiz...
Pvap 0.62 kPa 303.20 Vaporiz...
Pvap 0.73 kPa 306.20 Vaporiz...
Pvap 40.00 kPa 398.81 Determi...
Pvap 53.33 kPa 408.41 Determi...
Pvap 66.66 kPa 416.25 Determi...
Pvap 79.99 kPa 422.91 Determi...
Pvap 93.32 kPa 428.76 Determi...
n0 [1.51690; 1.52190]   [298.15; 308.15] Show Hide
n0 1.52190 298.15 Densiti...
n0 1.51890 303.15 Densiti...
n0 1.51690 308.15 Densiti...
ρl [1064.01; 1082.22] kg/m3 [293.15; 313.15] Show Hide
ρl 1082.22 kg/m3 293.15 Excess ...
ρl 1082.00 kg/m3 293.15 Influen...
ρl 1077.00 kg/m3 298.15 Influen...
ρl 1077.30 kg/m3 298.15 Thermod...
ρl 1077.30 kg/m3 298.15 Heat ca...
ρl 1077.34 kg/m3 298.15 Excess ...
ρl 1076.47 kg/m3 298.15 Thermod...
ρl 1077.30 kg/m3 298.15 Excess ...
ρl 1077.38 kg/m3 298.15 FT-IR s...
ρl 1077.30 kg/m3 298.15 Topolog...
ρl 1077.30 kg/m3 298.15 Densiti...
ρl 1072.80 kg/m3 303.15 FT-IR s...
ρl 1072.50 kg/m3 303.15 Topolog...
ρl 1072.46 kg/m3 303.15 Excess ...
ρl 1072.82 kg/m3 303.15 Effect ...
ρl 1072.50 kg/m3 303.15 Densiti...
ρl 1072.50 kg/m3 303.15 Heat ca...
ρl 1072.50 kg/m3 303.15 Thermod...
ρl 1072.86 kg/m3 303.15 Thermod...
ρl 1073.00 kg/m3 303.15 Influen...
ρl 1072.77 kg/m3 303.15 Excess ...
ρl 1072.50 kg/m3 303.15 Excess ...
ρl 1068.00 kg/m3 308.15 Influen...
ρl 1067.60 kg/m3 308.15 Excess ...
ρl 1067.60 kg/m3 308.15 Topolog...
ρl 1068.21 kg/m3 308.15 FT-IR s...
ρl 1067.60 kg/m3 308.15 Heat ca...
ρl 1067.60 kg/m3 308.15 Densiti...
ρl 1068.21 kg/m3 308.15 Thermod...
ρl 1067.60 kg/m3 308.15 Thermod...
ρl 1064.01 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 0.0009
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [315.84; 460.06] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41771e+01
Coefficient B-3.53502e+03
Coefficient C-6.13290e+01
Temperature range, min.315.84
Temperature range, max.460.06
Pvap 1.33 kPa 315.84 Calculated Property
Pvap 3.04 kPa 331.86 Calculated Property
Pvap 6.30 kPa 347.89 Calculated Property
Pvap 12.11 kPa 363.91 Calculated Property
Pvap 21.80 kPa 379.94 Calculated Property
Pvap 37.09 kPa 395.96 Calculated Property
Pvap 60.10 kPa 411.99 Calculated Property
Pvap 93.37 kPa 428.01 Calculated Property
Pvap 139.80 kPa 444.04 Calculated Property
Pvap 202.63 kPa 460.06 Calculated Property
Pvap [3.32e-03; 3927.51] kPa [236.65; 656.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.83417e+01
Coefficient B-7.97006e+03
Coefficient C-9.26611e+00
Coefficient D5.07756e-06
Temperature range, min.236.65
Temperature range, max.656.00
Pvap 3.32e-03 kPa 236.65 Calculated Property
Pvap 0.18 kPa 283.24 Calculated Property
Pvap 2.72 kPa 329.84 Calculated Property
Pvap 18.80 kPa 376.43 Calculated Property
Pvap 79.33 kPa 423.03 Calculated Property
Pvap 241.25 kPa 469.62 Calculated Property
Pvap 586.61 kPa 516.22 Calculated Property
Pvap 1220.60 kPa 562.81 Calculated Property
Pvap 2275.94 kPa 609.41 Calculated Property
Pvap 3927.51 kPa 656.00 Calculated Property

Similar Compounds

chlorotoluene. Benzene, 2,4-dichloro-1-methyl-. Benzene, 1,4-dichloro-2-methyl-. Benzene, 1,2-dichloro-3-methyl-. Benzene, 1-chloro-2,4-dimethyl-. [2H9]-2-Chloro-1,4-dimethylbenzene. Benzene, 2-chloro-1,4-dimethyl-. Benzene, 2-chloro-1,3-dimethyl-. Benzene, 1-chloro-3-methyl-. Benzene, 1,3-dichloro-2-methyl-. Benzene, 1-chloro-2,3-dimethyl-. Benzene, 1-chloro-2-(chloromethyl)-. 3-Chloro-4-methylbenzonitrile. Benzene, 1-(bromomethyl)-2-chloro-. 2-Chloro-4-iodotoluene.

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Mixtures

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Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.