Chemical Properties of Benzene, 1-chloro-3-methyl- (CAS 108-41-8)

Benzene, 1-chloro-3-methyl-

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InChI
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChI Key
OSOUNOBYRMOXQQ-UHFFFAOYSA-N
Formula
C7H7Cl
SMILES
Cc1cccc(Cl)c1
Molecular Weight1
126.58
CAS
108-41-8
Other Names
  • 1-Chloro-3-methylbenzene
  • 1-Chloro-5-methylbenzene
  • 1-METHYL-3-CHLOROBENZENE
  • 3-Chloro-1-methylbenzene
  • 3-Chlorotoluene
  • M-TOLYL CHLORIDE
  • NSC 8767
  • Toluene, m-chloro-
  • m-Chlorotoluene
  • meta-Chlorotoluene
  • toluene, 3-chloro-
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Physical Properties

Property Value Unit Source
PAff 783.90 kJ/mol NIST
BasG 754.50 kJ/mol NIST
Δcliquid -3751.00 ± 8.00 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 kJ/mol Joback Calculated Property
IE [8.70; 8.83] eV Show Hide
IE 8.70 ± 0.10 eV NIST
IE 8.83 ± 0.02 eV NIST
log10WS -3.52 Aq. Sol...
logPoct/wat 2.648 Crippen Calculated Property
McVol 97.970 ml/mol McGowan Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Inp [150.00; 960.00]   Show Hide
Inp 927.70 NIST
Inp 934.90 NIST
Inp 933.00 NIST
Inp 954.00 NIST
Inp 944.00 NIST
Inp 959.00 NIST
Inp 938.00 NIST
Inp 959.00 NIST
Inp 932.00 NIST
Inp 960.00 NIST
Inp 150.00 NIST
Inp 160.70 NIST
Inp 160.70 NIST
Inp 954.00 NIST
Inp 150.00 NIST
I [1288.00; 1313.00]   Show Hide
I 1313.00 NIST
I 1288.00 NIST
I 1301.00 NIST
I 1288.00 NIST
I 1291.00 NIST
Tboil [431.20; 435.20] K Show Hide
Tboil 435.20 K NIST
Tboil 431.20 ± 2.00 K NIST
Tboil 434.89 ± 0.20 K NIST
Tc 649.87 K Joback Calculated Property
Tfus [224.26; 246.90] K Show Hide
Tfus 225.20 K Aq. Sol...
Tfus 225.35 ± 0.50 K NIST
Tfus 224.26 ± 0.60 K NIST
Tfus 246.90 K NIST
Tfus 225.35 ± 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
ΔvapH [41.90; 46.20] kJ/mol [310.50; 404.00] Show Hide
ΔvapH 46.20 kJ/mol 310.50 NIST
ΔvapH 43.70 kJ/mol 356.50 NIST
ΔvapH 41.90 kJ/mol 404.00 NIST
Pvap [0.08; 0.82] kPa [274.20; 309.20] Show Hide
Pvap 0.08 kPa 274.20 Vaporiz...
Pvap 0.10 kPa 277.20 Vaporiz...
Pvap 0.12 kPa 280.20 Vaporiz...
Pvap 0.14 kPa 283.10 Vaporiz...
Pvap 0.18 kPa 286.20 Vaporiz...
Pvap 0.21 kPa 288.20 Vaporiz...
Pvap 0.26 kPa 291.20 Vaporiz...
Pvap 0.31 kPa 294.20 Vaporiz...
Pvap 0.31 kPa 294.20 Vaporiz...
Pvap 0.38 kPa 297.20 Vaporiz...
Pvap 0.48 kPa 300.20 Vaporiz...
Pvap 0.58 kPa 303.20 Vaporiz...
Pvap 0.69 kPa 306.30 Vaporiz...
Pvap 0.82 kPa 309.20 Vaporiz...
n0 [1.51690; 1.52070]   [298.15; 308.15] Show Hide
n0 1.52070 298.15 Densiti...
n0 1.51890 303.15 Densiti...
n0 1.51690 308.15 Densiti...
ρl [1053.49; 1072.15] kg/m3 [293.15; 313.15] Show Hide
ρl 1072.00 kg/m3 293.15 Influen...
ρl 1072.12 kg/m3 293.15 Excess ...
ρl 1072.15 kg/m3 293.15 Effect ...
ρl 1067.23 kg/m3 298.15 Excess ...
ρl 1067.00 kg/m3 298.15 Influen...
ρl 1067.25 kg/m3 298.15 Thermod...
ρl 1062.33 kg/m3 303.15 Excess ...
ρl 1063.00 kg/m3 303.15 Influen...
ρl 1065.22 kg/m3 303.15 Excess ...
ρl 1062.79 kg/m3 303.15 Thermod...
ρl 1058.00 kg/m3 308.15 Influen...
ρl 1058.29 kg/m3 308.15 Thermod...
ρl 1053.49 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 0.0008
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [318.36; 464.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41128e+01
Coefficient B-3.54140e+03
Coefficient C-6.22050e+01
Temperature range, min.318.36
Temperature range, max.464.58
Pvap 1.33 kPa 318.36 Calculated Property
Pvap 3.04 kPa 334.61 Calculated Property
Pvap 6.32 kPa 350.85 Calculated Property
Pvap 12.15 kPa 367.10 Calculated Property
Pvap 21.87 kPa 383.35 Calculated Property
Pvap 37.20 kPa 399.59 Calculated Property
Pvap 60.25 kPa 415.84 Calculated Property
Pvap 93.54 kPa 432.09 Calculated Property
Pvap 139.95 kPa 448.33 Calculated Property
Pvap 202.67 kPa 464.58 Calculated Property
Pvap [0.15; 99.89] kPa [278.15; 435.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.97198e+01
Coefficient B-5.59588e+03
Coefficient C-2.06159e+00
Coefficient D1.42367e-06
Temperature range, min.278.15
Temperature range, max.435.15
Pvap 0.15 kPa 278.15 Calculated Property
Pvap 0.44 kPa 295.59 Calculated Property
Pvap 1.15 kPa 313.04 Calculated Property
Pvap 2.68 kPa 330.48 Calculated Property
Pvap 5.72 kPa 347.93 Calculated Property
Pvap 11.35 kPa 365.37 Calculated Property
Pvap 21.10 kPa 382.82 Calculated Property
Pvap 37.11 kPa 400.26 Calculated Property
Pvap 62.19 kPa 417.71 Calculated Property
Pvap 99.89 kPa 435.15 Calculated Property

Similar Compounds

Benzene, 1,2-dichloro-4-methyl-. chlorotoluene. Benzene, 1-chloro-2-methyl-. Benzene, 1,4-dichloro-2-methyl-. Benzene, 4-chloro-1,2-dimethyl-. Benzene, 1,2-dichloro-3-methyl-. Benzene, 1-chloro-3-(chloromethyl)-. Benzene, 2-chloro-1,4-dimethyl-. [2H9]-2-Chloro-1,4-dimethylbenzene. Benzene, 1,3-dichloro-5-methyl-. Benzene, 1-(bromomethyl)-3-chloro-. Benzene, 1-chloro-4-methyl-. 3-Chlorobenzyl alcohol. Benzene, 1-chloro-2,3-dimethyl-. Benzaldehyde, 3-chloro-.

Find more compounds similar to Benzene, 1-chloro-3-methyl-.

Mixtures

Sources

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