Chemical Properties of Benzene, 1,2,3-trimethyl- (CAS 526-73-8)

Benzene, 1,2,3-trimethyl-

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InChI
InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChI Key
FYGHSUNMUKGBRK-UHFFFAOYSA-N
Formula
C9H12
SMILES
Cc1cccc(C)c1C
Molecular Weight1
120.19
CAS
526-73-8
Other Names
  • 1,2,3-TrimethyIbenzene
  • 1,2,3-Trimethylbenzene
  • 1,2,3-trimethylbenzene (hemimellitene)
  • Hemellitol
  • Hemimellitene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5198.00 ± 1.20 kJ/mol NIST
Δf 118.05 kJ/mol Joback Calculated Property
Δfgas -9.60 ± 1.30 kJ/mol NIST
Δfliquid -58.60 ± 1.30 kJ/mol NIST
Δfus 12.33 kJ/mol Joback Calculated Property
Δvap [48.80; 49.10] kJ/mol Show Hide
Δvap 49.06 kJ/mol NIST
Δvap 49.00 kJ/mol NIST
Δvap Outlier 48.80 kJ/mol NIST
Δvap 49.10 kJ/mol NIST
Δvap 49.10 kJ/mol NIST
Δvap 49.05 kJ/mol NIST
Δvap 49.00 kJ/mol NIST
IE [8.42; 8.60] eV Show Hide
IE 8.42 ± 0.02 eV NIST
IE 8.42 ± 0.02 eV NIST
IE 8.48 ± 0.01 eV NIST
IE 8.42 eV NIST
IE 8.60 ± 0.03 eV NIST
logPoct/wat 2.61 Crippen Calculated Property
Pc 3450.00 ± 40.00 kPa NIST
Pc 3442.60 ± 50.00 kPa NIST
Pc 3454.00 ± 6.00 kPa NIST
gas 384.84 ± 0.63 J/mol×K NIST
liquid 267.94 J/mol×K NIST
Tboil [448.00; 450.00] K Show Hide
Tboil 449.30 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.23 ± 0.20 K NIST
Tboil 449.00 ± 3.00 K NIST
Tboil Outlier 450.00 ± 2.00 K NIST
Tboil 449.30 ± 0.50 K NIST
Tboil 449.30 ± 0.30 K NIST
Tboil 449.00 ± 6.00 K NIST
Tboil 449.23 ± 0.03 K NIST
Tboil 449.23 ± 0.15 K NIST
Tboil 449.24 ± 0.30 K NIST
Tboil 449.25 ± 0.25 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.22 ± 0.30 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.23 ± 0.15 K NIST
Tboil 449.22 ± 0.30 K NIST
Tboil 449.22 ± 0.20 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.24 ± 0.30 K NIST
Tboil 449.25 ± 0.20 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil 449.55 ± 1.00 K NIST
Tboil Outlier 448.40 ± 0.30 K NIST
Tboil 449.24 ± 0.20 K NIST
Tboil Outlier 448.00 ± 2.00 K NIST
Tboil 449.25 ± 0.30 K NIST
Tboil Outlier 448.25 ± 2.00 K NIST
Tboil 449.00 ± 2.00 K NIST
Tc [664.39; 665.50] K Show Hide
Tc 664.50 ± 0.50 K NIST
Tc 665.50 ± 1.50 K NIST
Tc 664.39 ± 0.10 K NIST
Tc 664.50 ± 0.30 K NIST
Tfus [247.39; 247.77] K Show Hide
Tfus 247.42 ± 1.00 K NIST
Tfus 247.65 ± 0.30 K NIST
Tfus 247.62 ± 0.30 K NIST
Tfus 247.39 ± 0.50 K NIST
Tfus 247.65 ± 0.20 K NIST
Tfus 247.62 ± 0.20 K NIST
Tfus 247.40 ± 0.40 K NIST
Tfus 247.75 ± 0.20 K NIST
Tfus 247.76 ± 0.03 K NIST
Tfus 247.76 ± 0.02 K NIST
Tfus 247.77 ± 0.01 K NIST
Tfus 247.62 ± 0.20 K NIST
Tfus 247.74 ± 0.20 K NIST
Tfus 247.75 ± 1.50 K NIST
Ttriple 247.81 ± 0.05 K NIST
Ttriple 247.80 ± 0.05 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 216.44 J/mol×K 298.15 NIST
η 0.00 Pa×s 441.96 Joback Calculated Property
ΔfusH 0.66 kJ/mol 218.7 NIST
ΔfusH 1.33 kJ/mol 230.3 NIST
ΔfusH 8.18 kJ/mol 247.8 NIST
ΔvapH 42.50 kJ/mol 264.5 NIST
ΔvapH 44.80 kJ/mol 409.5 NIST
ΔfusS 3.00 J/mol×K 218.7 NIST
ΔfusS 5.80 J/mol×K 230.3 NIST
ΔfusS 33.01 J/mol×K 247.8 NIST

Molecular Descriptors

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

Similar Compounds

Benzene, 1,2,3,5-tetramethyl-. Benzene, pentamethyl-. Benzene, hexamethyl-. Benzene, 1,2,3,4-tetramethyl-. Benzene, 1,2,4,5-tetramethyl-. Benzene, 1,2,4-trimethyl-. o-Xylene. 2-Methylbenzyl radical. 3-Methylbenzyl radical. Benzene, 1,3-dimethyl-. Benzene, 1,3,5-trimethyl-. Benzene, 2-ethenyl-1,3-dimethyl-. 2,6-Dimethylbenzaldehyde. Benzene, 2-ethyl-1,3-dimethyl-. 2,6-Dimethylbenzonitrile.

Find more compounds similar to Benzene, 1,2,3-trimethyl-.

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