Chemical Properties of 1,2,4-Trimethylbenzene (CAS 95-36-3)

1,2,4-Trimethylbenzene

InChI
InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChI Key
GWHJZXXIDMPWGX-UHFFFAOYSA-N
Formula
C9H12
SMILES
Cc1ccc(C)c(C)c1
Molecular Weight1
120.19
CAS
95-36-3
Other Names
  • 1,2,4-trimethylbenzene (pseudocumene)
  • 1,2,5-Trimethylbenzene
  • 1,3,4-Trimethylbenzene
  • AS-TRIMETHYBENZENE
  • Asymmetrical trimethylbenzene
  • Benzene, 1,2,5-trimethyl-
  • NSC 65600
  • Pseudocumol
  • Psi-cumene
  • as-Trimethylbenzene
  • benzene, 1,2,4-trimethyl-
  • pseudocumene
  • «psi»-Cumene
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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
ω 0.3760 KDB
Cp,liquid 213.02 J/mol×K Thermodynamics of mixtures involving some (benzene derivatives + benzonitrile)
Δf 117.00 kJ/mol KDB
Δc,grossH 5194.77 kJ/mol KDB
Δc,netH 4930.677 kJ/mol KDB
Δfgas -13.94 kJ/mol KDB
Δfus 12.33 kJ/mol Joback Calculated Property
Δvap 49.57 kJ/mol Relay (1.0) Calculated Property
IE 8.14 eV Relay (1.0) Calculated Property
log10WS [-3.31; -3.31]   Show Hide
log10WS -3.31 Aq. Solubility Prediction
log10WS -3.31 Estimated Solubility
logPoct/wat 2.612 Crippen Calculated Property
McVol 113.910 ml/mol McGowan Calculated Property
Pc [3230.00; 3232.00] kPa Show Hide
Pc 3232.00 kPa KDB
Pc 3230.00 ± 40.00 kPa NIST
Tboil [442.45; 442.53] K Show Hide
Tboil 442.45 K Isobaric (vapour + liquid) equilibria for N-formylmorpholine with ethylbenzene, n-butylbenzene, iso-propylbenzene and 1,2,4-trimethylbenzene at 101.33 kPa
Tboil 442.53 K KDB
Tc [649.10; 649.10] K Show Hide
Tc 649.10 K KDB
Tc 649.10 ± 0.50 K NIST
Tfus [229.25; 229.30] K Show Hide
Tfus 229.30 K KDB
Tfus 229.25 K Aq. Solubility Prediction
Vc 0.435 m3/kmol KDB
Zc 0.2605030 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [216.81; 285.90] J/mol×K [441.96; 651.95] Show Hide
Cp,gas 216.81 J/mol×K 441.96 Joback Calculated Property
Cp,gas 229.86 J/mol×K 476.96 Joback Calculated Property
Cp,gas 242.27 J/mol×K 511.96 Joback Calculated Property
Cp,gas 254.06 J/mol×K 546.96 Joback Calculated Property
Cp,gas 265.25 J/mol×K 581.96 Joback Calculated Property
Cp,gas 275.86 J/mol×K 616.95 Joback Calculated Property
Cp,gas 285.90 J/mol×K 651.95 Joback Calculated Property
η [0.0002083; 0.0015760] Pa×s [242.65; 441.96] Show Hide
η 0.0015760 Pa×s 242.65 Joback Calculated Property
η 0.0009182 Pa×s 275.87 Joback Calculated Property
η 0.0006008 Pa×s 309.09 Joback Calculated Property
η 0.0004268 Pa×s 342.31 Joback Calculated Property
η 0.0003221 Pa×s 375.52 Joback Calculated Property
η 0.0002545 Pa×s 408.74 Joback Calculated Property
η 0.0002083 Pa×s 441.96 Joback Calculated Property
ΔvapH 39.25 kJ/mol 442.30 KDB
Pvap [0.73; 101.40] kPa [313.15; 442.22] Show Hide
Pvap 0.73 kPa 313.15 Vapor-liquid equilibria and excess enthalpies of the binary systems 1- pentanol or 2-pentanol and 1-hexene or 1,2,4-trimethylbenzene for the development of biofuels
Pvap 16.90 kPa 383.15 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 20.10 kPa 387.74 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 30.30 kPa 400.11 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 39.80 kPa 408.87 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 50.30 kPa 416.75 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 60.00 kPa 422.84 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 70.30 kPa 428.53 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 80.30 kPa 433.42 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 90.40 kPa 437.83 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
Pvap 101.40 kPa 442.22 Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons
n0 [1.50237; 1.50470]   [293.15; 298.15] Show Hide
n0 1.50470 293.15 Isobaric Vapor Liquid Equilibrium Data for the System of 1-Methyl-2-Ethylbenzene + 1,2,4-Trimethylbenzene at 10 kPa
n0 1.50237 298.15 KDB
ρl [871.64; 880.00] kg/m3 [289.00; 298.15] Show Hide
ρl 880.00 kg/m3 289.00 KDB
ρl 875.78 kg/m3 293.15 Isobaric VLE data for 1-methyl-3-ethylbenzene or 1-methyl-4-ethylbenzene + 1,2,4-trimethylbenzene at 20 kPa
ρl 871.64 kg/m3 298.15 Excess Molar volumes and Surface Tensions of Trimethylbenzene with Tetrahydrofuran Tetrachloromethane and Dimethylsulfoxide at 298.15 K
ρl 871.64 kg/m3 298.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with 1-Butanol, 2-Methyl-1-propanol, 2-Butanol, and 2-Methyl-2-propanol at 298.15 K
γ [0.03; 0.03] N/m [293.20; 313.15] Show Hide
γ 0.03 N/m 293.20 KDB
γ 0.03 N/m 298.15 Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 298.15 Densities, surface tensions, and derived surface thermodynamics properties of (trimethylbenzene + propyl acetate, or butyl acetate) from T = 298.15 K to 313.15 K
γ 0.03 N/m 298.15 Excess Molar Volumes and Surface Tensions of Trimethylbenzene + Ethylene Glycol Ester at 298.15 K and 313.15 K
γ 0.03 N/m 298.15 Densities and Surface Tensions of Trimethylbenzene + Dimethyl Carbonate or + Diethyl Carbonate at 298.15 K and 313.15 K
γ 0.03 N/m 298.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 303.15 Densities, surface tensions, and derived surface thermodynamics properties of (trimethylbenzene + propyl acetate, or butyl acetate) from T = 298.15 K to 313.15 K
γ 0.03 N/m 308.15 Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 308.15 Densities, surface tensions, and derived surface thermodynamics properties of (trimethylbenzene + propyl acetate, or butyl acetate) from T = 298.15 K to 313.15 K
γ 0.03 N/m 308.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 313.15 Excess Molar Volumes and Surface Tensions of Trimethylbenzene + Ethylene Glycol Ester at 298.15 K and 313.15 K
γ 0.03 N/m 313.15 Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 313.15 Densities and Surface Tensions of Trimethylbenzene + Dimethyl Carbonate or + Diethyl Carbonate at 298.15 K and 313.15 K
γ 0.03 N/m 313.15 Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 313.15 Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ 0.03 N/m 313.15 Densities, surface tensions, and derived surface thermodynamics properties of (trimethylbenzene + propyl acetate, or butyl acetate) from T = 298.15 K to 313.15 K
λ [0.12; 0.13] W/m×K [257.58; 331.09] Show Hide
λ 0.13 W/m×K 257.58 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 257.79 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 257.93 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 276.33 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 276.54 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 276.69 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 283.32 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 283.54 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 283.68 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 295.54 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 295.76 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.13 W/m×K 295.91 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 312.75 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 312.98 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 313.13 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 330.69 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 330.93 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
λ 0.12 W/m×K 331.09 Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons

Datasets

  1. Viscosity, Pa*s (1)
  2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
293.15 100.00 0.0009
293.15 1000.00 0.0009
293.15 5000.00 0.0009
293.15 10000.00 0.0010
293.15 20000.00 0.0011
293.15 30000.00 0.0011
293.15 40000.00 0.0012
293.15 50000.00 0.0013
293.15 60000.00 0.0014
293.15 70000.00 0.0016
293.15 80000.00 0.0017
293.15 100000.00 0.0020
293.15 120000.00 0.0023
293.15 140000.00 0.0027
313.15 100.00 0.0007
313.15 1000.00 0.0007
313.15 5000.00 0.0007
313.15 10000.00 0.0008
313.15 20000.00 0.0008
313.15 30000.00 0.0009
313.15 40000.00 0.0010
313.15 50000.00 0.0010
313.15 60000.00 0.0011
313.15 70000.00 0.0012
313.15 80000.00 0.0012
313.15 100000.00 0.0014
313.15 120000.00 0.0016
313.15 140000.00 0.0018
333.15 100.00 0.0006
333.15 1000.00 0.0006
333.15 5000.00 0.0006
333.15 10000.00 0.0006
333.15 20000.00 0.0006
333.15 30000.00 0.0007
333.15 40000.00 0.0007
333.15 50000.00 0.0008
333.15 60000.00 0.0008
333.15 70000.00 0.0009
333.15 80000.00 0.0010
333.15 100000.00 0.0011
333.15 120000.00 0.0012
333.15 140000.00 0.0013
353.15 100.00 0.0005
353.15 1000.00 0.0005
353.15 5000.00 0.0005
353.15 10000.00 0.0005
353.15 20000.00 0.0005
353.15 30000.00 0.0006
353.15 40000.00 0.0006
353.15 50000.00 0.0006
353.15 60000.00 0.0007
353.15 70000.00 0.0007
353.15 80000.00 0.0008
353.15 100000.00 0.0009
353.15 120000.00 0.0010
353.15 140000.00 0.0011
Reference

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
273.15 100.00 891.7
273.15 1000.00 892.3
273.15 2000.00 892.9
273.15 5000.00 894.6
273.15 10000.00 897.4
273.15 15000.00 900.2
273.15 20000.00 902.8
273.15 30000.00 908.0
273.15 40000.00 912.9
273.15 50000.00 917.5
273.15 60000.00 921.9
273.15 70000.00 926.2
273.15 80000.00 930.3
273.15 90000.00 934.2
273.15 100000.00 938.0
273.15 110000.00 941.7
273.15 120000.00 945.2
273.15 130000.00 948.6
273.15 140000.00 952.0
283.15 100.00 883.3
283.15 1000.00 883.9
283.15 2000.00 884.5
283.15 5000.00 886.3
283.15 10000.00 889.3
283.15 15000.00 892.2
283.15 20000.00 895.0
283.15 30000.00 900.3
283.15 40000.00 905.4
283.15 50000.00 910.2
283.15 60000.00 914.8
283.15 70000.00 919.3
283.15 80000.00 923.5
283.15 90000.00 927.5
283.15 100000.00 931.4
283.15 110000.00 935.2
283.15 120000.00 938.9
283.15 130000.00 942.4
283.15 140000.00 945.8
293.15 100.00 875.1
293.15 1000.00 875.7
293.15 2000.00 876.3
293.15 5000.00 878.2
293.15 10000.00 881.4
293.15 15000.00 884.4
293.15 20000.00 887.3
293.15 30000.00 892.9
293.15 40000.00 898.2
293.15 50000.00 903.2
293.15 60000.00 908.0
293.15 70000.00 912.6
293.15 80000.00 916.9
293.15 90000.00 921.1
293.15 100000.00 925.1
293.15 110000.00 929.0
293.15 120000.00 932.8
293.15 130000.00 936.4
293.15 140000.00 939.9
303.15 100.00 867.0
303.15 1000.00 867.6
303.15 2000.00 868.3
303.15 5000.00 870.3
303.15 10000.00 873.6
303.15 15000.00 876.8
303.15 20000.00 879.8
303.15 30000.00 885.7
303.15 40000.00 891.2
303.15 50000.00 896.4
303.15 60000.00 901.4
303.15 70000.00 906.1
303.15 80000.00 910.6
303.15 90000.00 914.9
303.15 100000.00 919.1
303.15 110000.00 923.1
303.15 120000.00 927.0
303.15 130000.00 930.7
303.15 140000.00 934.3
313.15 100.00 859.0
313.15 1000.00 859.7
313.15 2000.00 860.4
313.15 5000.00 862.6
313.15 10000.00 866.0
313.15 15000.00 869.3
313.15 20000.00 872.6
313.15 30000.00 878.7
313.15 40000.00 884.5
313.15 50000.00 889.9
313.15 60000.00 895.0
313.15 70000.00 899.9
313.15 80000.00 904.6
313.15 90000.00 909.0
313.15 100000.00 913.3
313.15 110000.00 917.4
313.15 120000.00 921.4
313.15 130000.00 925.2
313.15 140000.00 928.9
323.15 100.00 851.3
323.15 1000.00 852.0
323.15 2000.00 852.7
323.15 5000.00 855.0
323.15 10000.00 858.6
323.15 15000.00 862.1
323.15 20000.00 865.5
323.15 30000.00 871.9
323.15 40000.00 877.9
323.15 50000.00 883.5
323.15 60000.00 888.9
323.15 70000.00 894.0
323.15 80000.00 898.8
323.15 90000.00 903.4
323.15 100000.00 907.8
323.15 110000.00 912.0
323.15 120000.00 916.1
323.15 130000.00 920.0
323.15 140000.00 923.8
333.15 100.00 843.6
333.15 1000.00 844.4
333.15 2000.00 845.2
333.15 5000.00 847.6
333.15 10000.00 851.4
333.15 15000.00 855.1
333.15 20000.00 858.6
333.15 30000.00 865.3
333.15 40000.00 871.6
333.15 50000.00 877.4
333.15 60000.00 883.0
333.15 70000.00 888.2
333.15 80000.00 893.2
333.15 90000.00 898.0
333.15 100000.00 902.5
333.15 110000.00 906.9
333.15 120000.00 911.1
333.15 130000.00 915.1
333.15 140000.00 919.0
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [323.10; 471.79] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47784e+01
Coefficient B-4.06027e+03
Coefficient C-4.29020e+01
Temperature range, min.323.10
Temperature range, max.471.79
Pvap 1.33 kPa 323.10 Calculated Property
Pvap 2.99 kPa 339.62 Calculated Property
Pvap 6.15 kPa 356.14 Calculated Property
Pvap 11.77 kPa 372.66 Calculated Property
Pvap 21.18 kPa 389.18 Calculated Property
Pvap 36.13 kPa 405.71 Calculated Property
Pvap 58.82 kPa 422.23 Calculated Property
Pvap 91.95 kPa 438.75 Calculated Property
Pvap 138.68 kPa 455.27 Calculated Property
Pvap 202.65 kPa 471.79 Calculated Property
Pvap [8.99e-04; 3155.22] kPa [229.38; 649.13] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.15931e+01
Coefficient B-7.42775e+03
Coefficient C-6.69353e+00
Coefficient D2.96938e-06
Temperature range, min.229.38
Temperature range, max.649.13
Pvap 8.99e-04 kPa 229.38 Calculated Property
Pvap 0.07 kPa 276.02 Calculated Property
Pvap 1.24 kPa 322.66 Calculated Property
Pvap 10.13 kPa 369.30 Calculated Property
Pvap 48.58 kPa 415.94 Calculated Property
Pvap 163.06 kPa 462.57 Calculated Property
Pvap 426.85 kPa 509.21 Calculated Property
Pvap 935.65 kPa 555.85 Calculated Property
Pvap 1802.22 kPa 602.49 Calculated Property
Pvap 3155.22 kPa 649.13 Calculated Property

Similar Compounds

Benzene, 1,2,3,4-tetramethyl-. Benzene, 1,2,3,5-tetramethyl-. Benzene, 1,2,3-trimethyl-. o-Xylene. 2-Methylbenzyl radical. 1,2-Di(methyl-d3)benzene-d4. Benzonitrile, 3,4-dimethyl-. Benzene, 1,2,4,5-tetramethyl-. Benzene, pentamethyl-. 2,4-DIMETHYLBENZONITRILE. Benzaldehyde, 3,4-dimethyl-. Benzene, 4-(chloromethyl)-1,2-dimethyl-. 3-Methylbenzyl radical. Benzene, 1,3-dimethyl-. Benzaldehyde, 2,4-dimethyl-.

Find more compounds similar to 1,2,4-Trimethylbenzene.

Mixtures

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Sources

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