Chemical Properties of Benzene, hexamethyl- (CAS 87-85-4)

Benzene, hexamethyl-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChI Key
YUWFEBAXEOLKSG-UHFFFAOYSA-N
Formula
C12H18
SMILES
Cc1c(C)c(C)c(C)c(C)c1C
Molecular Weight1
162.27
CAS
87-85-4
Other Names
  • 1,2,3,4,5,6-Hexamethylbenzene
  • Hexamethylbenzene
  • Mellitene
Sources

Physical Properties

Property Value Unit Source
PAff 860.60 kJ/mol NIST
BasG 836.00 kJ/mol NIST
Δcliquid -7134.60 ± 7.10 kJ/mol NIST
Δcsolid -7132.20 ± 1.90 kJ/mol NIST
Δcsolid -7113.20 ± 5.20 kJ/mol NIST
Δcsolid -7131.30 ± 3.00 kJ/mol NIST
EA 0.12 ± 0.02 eV NIST
Δf 114.42 kJ/mol Joback Calculated Property
Δfgas -77.40 ± 2.50 kJ/mol NIST
Δfgas -78.30 kJ/mol NIST
Δfliquid -142.00 kJ/mol NIST
Δfsolid -162.40 ± 2.50 kJ/mol NIST
Δfsolid -163.30 ± 3.10 kJ/mol NIST
Δfus 18.93 kJ/mol Joback Calculated Property
Δsub [74.89; 86.10] kJ/mol Show Hide
Δsub 81.41 ± 0.11 kJ/mol NIST
Δsub 81.40 ± 0.10 kJ/mol NIST
Δsub 85.00 ± 0.20 kJ/mol NIST
Δsub 85.00 kJ/mol NIST
Δsub 85.00 ± 0.20 kJ/mol NIST
Δsub Outlier 74.89 ± 0.63 kJ/mol NIST
Δsub 86.10 kJ/mol NIST
Δvap 68.60 kJ/mol NIST
IE [7.80; 7.95] eV Show Hide
IE 7.85 ± 0.01 eV NIST
IE 7.85 eV NIST
IE 7.87 eV NIST
IE 7.85 ± 0.02 eV NIST
IE 7.85 eV NIST
IE 7.80 eV NIST
IE Outlier 7.95 eV NIST
IE 7.85 eV NIST
IE 7.90 eV NIST
logPoct/wat 3.54 Crippen Calculated Property
Pc 2237.64 kPa Joback Calculated Property
solid,1 bar 302.81 J/mol×K NIST
solid,1 bar 306.31 J/mol×K NIST
solid,1 bar 309.60 J/mol×K NIST
Tboil 538.20 K NIST
Tboil 536.85 ± 0.60 K NIST
Tc 758.00 ± 1.00 K NIST
Tc 758.00 ± 2.00 K NIST
Tc 751.15 ± 10.00 K NIST
Tfus [434.65; 440.80] K Show Hide
Tfus 438.90 ± 0.01 K NIST
Tfus Outlier 434.65 ± 3.00 K NIST
Tfus 440.80 ± 3.00 K NIST
Tfus 439.40 ± 1.00 K NIST
Tfus 438.70 ± 0.30 K NIST
Tfus 439.75 ± 1.00 K NIST
Tfus 438.50 ± 0.50 K NIST
Tfus 438.70 ± 1.50 K NIST
Tfus 438.70 ± 0.20 K NIST
Tfus 438.70 ± 1.00 K NIST
Tfus 435.15 ± 2.00 K NIST
Tfus 437.95 ± 0.15 K NIST
Tfus 438.15 ± 3.00 K NIST
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 347.90 J/mol×K 525.54 Joback Calculated Property
Cp,liquid 370.70 J/mol×K 455.0 NIST
Cp,solid [243.40; 258.50] J/mol×K [293.81; 303.00] Show Hide
Plot of Solid phase heat capacity.
Cp,solid 256.10 J/mol×K 293.81 NIST
Cp,solid 254.80 J/mol×K 294.6 NIST
Cp,solid 243.40 J/mol×K 298.15 NIST
Cp,solid 245.64 J/mol×K 298.15 NIST
Cp,solid 252.11 J/mol×K 300.0 NIST
Cp,solid 258.50 J/mol×K 303.0 NIST
η 0.00 Pa×s 525.54 Joback Calculated Property
ΔfusH 1.76 kJ/mol 383.7 NIST
ΔfusH 20.63 kJ/mol 438.7 NIST
ΔsubH 85.20 kJ/mol 320.5 NIST
ΔsubH 83.20 kJ/mol 339.0 NIST
ΔvapH 56.80 kJ/mol 490.0 NIST
ΔfusS 4.58 J/mol×K 383.7 NIST
ΔfusS 47.02 J/mol×K 438.7 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 6
-CH3 6

Similar Compounds

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

Find more compounds similar to Benzene, hexamethyl-.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.