Chemical Properties of Benzene, 1,2,4-trimethyl- (CAS 95-63-6)

Benzene, 1,2,4-trimethyl-

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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
95-63-6
Other Names
  • 1,2,4-Trimethylbenzene
  • 1,2,4-trimethylbenzene (pseudocumene)
  • 1,2,5-Trimethylbenzene
  • 1,3,4-Trimethylbenzene
  • Asymmetrical trimethylbenzene
  • Benzene, 1,2,5-trimethyl-
  • NSC 65600
  • Pseudocumene
  • Pseudocumol
  • Psi-cumene
  • as-Trimethylbenzene
  • «psi»-Cumene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5194.80 ± 1.00 kJ/mol NIST
Δcliquid -5190.60 kJ/mol NIST
Δf 118.05 kJ/mol Joback Calculated Property
Δfgas -13.90 ± 1.10 kJ/mol NIST
Δfliquid -61.90 ± 1.10 kJ/mol NIST
Δfus 12.33 kJ/mol Joback Calculated Property
Δvap [39.30; 48.00] kJ/mol Show Hide
Δvap 47.94 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
Δvap 47.20 kJ/mol NIST
Δvap 47.90 kJ/mol NIST
Δvap Outlier 39.30 kJ/mol NIST
Δvap 47.90 kJ/mol NIST
Δvap 47.93 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
IE [8.27; 8.50] eV Show Hide
IE 8.27 ± 0.01 eV NIST
IE 8.27 eV NIST
IE 8.27 ± 0.01 eV NIST
IE 8.27 eV NIST
IE 8.50 ± 0.03 eV NIST
logPoct/wat 2.61 Crippen Calculated Property
Pc [1925.18; 3382.60] kPa Show Hide
Pc 3277.10 ± 0.32 kPa NIST
Pc 3269.40 ± 0.32 kPa NIST
Pc 3269.50 ± 0.32 kPa NIST
Pc 3382.60 ± 0.33 kPa NIST
Pc 3232.00 ± 6.00 kPa NIST
Pc Outlier 1925.18 ± 151.99 kPa NIST
Pc 3260.00 ± 5.88 kPa NIST
gas 395.76 ± 0.63 J/mol×K NIST
liquid 283.38 J/mol×K NIST
liquid 283.30 J/mol×K NIST
Tboil [439.00; 443.35] K Show Hide
Tboil 441.20 K NIST
Tboil 442.50 K NIST
Tboil 442.50 ± 0.20 K NIST
Tboil 442.49 ± 0.15 K NIST
Tboil 442.49 ± 0.20 K NIST
Tboil 442.00 ± 3.00 K NIST
Tboil Outlier 439.00 ± 2.00 K NIST
Tboil 442.50 ± 0.03 K NIST
Tboil 442.50 ± 0.15 K NIST
Tboil 442.35 ± 0.30 K NIST
Tboil 442.49 ± 0.15 K NIST
Tboil 442.50 ± 0.20 K NIST
Tboil 442.50 ± 0.20 K NIST
Tboil 442.50 ± 0.20 K NIST
Tboil 442.49 ± 0.20 K NIST
Tboil 442.60 ± 0.40 K NIST
Tboil 442.65 ± 0.25 K NIST
Tboil 442.00 ± 2.00 K NIST
Tboil 442.70 ± 0.60 K NIST
Tboil 442.50 ± 0.25 K NIST
Tboil 442.50 ± 0.20 K NIST
Tboil 442.55 ± 0.30 K NIST
Tboil 442.55 ± 0.30 K NIST
Tboil 441.35 ± 0.25 K NIST
Tboil 442.00 ± 2.00 K NIST
Tboil 442.90 ± 5.00 K NIST
Tboil 442.33 ± 0.30 K NIST
Tboil 442.30 ± 0.60 K NIST
Tboil 442.30 ± 0.50 K NIST
Tboil 443.35 ± 0.40 K NIST
Tboil 442.10 ± 1.00 K NIST
Tboil 442.42 ± 0.30 K NIST
Tboil 441.40 ± 0.50 K NIST
Tboil 442.90 ± 0.70 K NIST
Tc [610.00; 654.40] K Show Hide
Tc 650.55 ± 0.06 K NIST
Tc 650.35 ± 0.06 K NIST
Tc 650.35 ± 0.06 K NIST
Tc 649.95 ± 0.06 K NIST
Tc 649.09 ± 0.10 K NIST
Tc 649.02 ± 0.30 K NIST
Tc Outlier 610.00 ± 5.00 K NIST
Tc 654.40 ± 4.00 K NIST
Tfus [212.15; 229.37] K Show Hide
Tfus 221.00 ± 4.00 K NIST
Tfus 229.00 ± 0.20 K NIST
Tfus 228.85 ± 0.20 K NIST
Tfus 229.37 ± 0.20 K NIST
Tfus 229.05 ± 0.40 K NIST
Tfus 223.85 ± 0.40 K NIST
Tfus 224.18 ± 0.20 K NIST
Tfus 229.23 ± 0.10 K NIST
Tfus 229.24 ± 0.08 K NIST
Tfus 229.35 ± 0.07 K NIST
Tfus 224.15 ± 0.07 K NIST
Tfus 228.15 ± 2.00 K NIST
Tfus 228.70 ± 0.60 K NIST
Tfus 228.15 ± 0.20 K NIST
Tfus Outlier 212.15 ± 0.50 K NIST
Ttriple 229.33 ± 0.03 K NIST
Ttriple 228.60 ± 0.30 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 216.81 J/mol×K 441.96 Joback Calculated Property
Cp,liquid [210.41; 214.97] J/mol×K [295.99; 299.80] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 212.10 J/mol×K 295.99 NIST
Cp,liquid 212.10 J/mol×K 297.3 NIST
Cp,liquid 213.00 J/mol×K 298.0 NIST
Cp,liquid 213.11 J/mol×K 298.15 NIST
Cp,liquid 214.97 J/mol×K 298.15 NIST
Cp,liquid 210.41 J/mol×K 299.8 NIST
η 0.00 Pa×s 441.96 Joback Calculated Property
ΔfusH 12.65 kJ/mol 228.6 NIST
ΔfusH 13.19 kJ/mol 229.3 NIST
ΔvapH 46.50 kJ/mol 262.0 NIST
ΔvapH 44.10 kJ/mol 403.5 NIST
ΔfusS 55.30 J/mol×K 228.6 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH3 3
=CH- (ring) 3

Similar Compounds

Benzene, 1,2,4,5-tetramethyl-. Benzene, 1,2,3,5-tetramethyl-. Benzene, hexamethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzene, pentamethyl-. Benzene, 1,2,3-trimethyl-. o-Xylene. Benzene, 1,3,5-trimethyl-. 2-Methylbenzyl radical. 3-Methylbenzyl radical. Benzene, 1,3-dimethyl-. Benzaldehyde, 3,4-dimethyl-. 3,4-Dimethylbenzoic acid nitrile. Benzene, 4-(chloromethyl)-1,2-dimethyl-. Benzaldehyde, 2,4-dimethyl-.

Find more compounds similar to Benzene, 1,2,4-trimethyl-.

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