Chemical Properties of Benzene, pentamethyl- (CAS 700-12-9)

Benzene, pentamethyl-

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InChI
InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
InChI Key
BEZDDPMMPIDMGJ-UHFFFAOYSA-N
Formula
C11H16
SMILES
Cc1cc(C)c(C)c(C)c1C
Molecular Weight1
148.24
CAS
700-12-9
Other Names
  • 1,2,3,4,5-Pentamethylbenzene
  • Benzene, 1,2,3,4,5-pentamethyl-
  • Pentamethylbenzene
Sources

Physical Properties

Property Value Unit Source
PAff 850.70 kJ/mol NIST
BasG 823.50 kJ/mol NIST
Δcliquid -6475.60 ± 6.30 kJ/mol NIST
Δcsolid -6470.60 ± 1.60 kJ/mol NIST
Δcsolid -6480.10 ± 2.60 kJ/mol NIST
EA 0.18 ± 0.01 eV NIST
Δf 115.63 kJ/mol Joback Calculated Property
Δfgas -67.20 ± 2.20 kJ/mol NIST
Δfgas -57.70 kJ/mol NIST
Δfsolid -144.60 ± 2.20 kJ/mol NIST
Δfsolid -135.10 ± 2.60 kJ/mol NIST
Δfus 16.73 kJ/mol Joback Calculated Property
Δsub [71.60; 77.40] kJ/mol Show Hide
Δsub 71.60 ± 0.10 kJ/mol NIST
Δsub 71.60 ± 0.10 kJ/mol NIST
Δsub 77.40 ± 0.40 kJ/mol NIST
Δsub 77.40 kJ/mol NIST
Δsub 77.40 ± 0.40 kJ/mol NIST
Δvap 45.00 kJ/mol Joback Calculated Property
IE [7.90; 7.92] eV Show Hide
IE 7.92 eV NIST
IE 7.92 eV NIST
IE Outlier 7.90 eV NIST
IE 7.92 ± 0.02 eV NIST
IE 7.92 eV NIST
logPoct/wat 3.23 Crippen Calculated Property
Pc 2492.52 kPa Joback Calculated Property
solid,1 bar 294.10 J/mol×K NIST
Tboil [486.00; 540.00] K Show Hide
Tboil 505.20 K NIST
Tboil 505.15 ± 0.60 K NIST
Tboil 504.00 ± 2.00 K NIST
Tboil 503.40 ± 1.50 K NIST
Tboil 503.15 ± 2.00 K NIST
Tboil 486.00 ± 6.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tboil Outlier 540.00 ± 6.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tboil 503.00 ± 3.00 K NIST
Tc 704.55 K Joback Calculated Property
Tfus [323.15; 329.00] K Show Hide
Tfus 326.00 ± 4.00 K NIST
Tfus 324.50 ± 0.60 K NIST
Tfus 329.00 ± 2.00 K NIST
Tfus 327.45 ± 0.30 K NIST
Tfus 326.90 ± 1.00 K NIST
Tfus 328.20 ± 0.20 K NIST
Tfus 326.40 ± 1.50 K NIST
Tfus 324.15 ± 2.00 K NIST
Tfus 324.15 ± 2.00 K NIST
Tfus 326.15 ± 2.00 K NIST
Tfus 324.65 ± 2.00 K NIST
Tfus 327.50 ± 0.40 K NIST
Tfus 327.15 ± 0.15 K NIST
Tfus 325.15 ± 1.50 K NIST
Tfus 324.15 ± 3.00 K NIST
Tfus 326.15 ± 3.00 K NIST
Tfus 323.15 ± 2.00 K NIST
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 302.47 J/mol×K 497.68 Joback Calculated Property
Cp,solid [210.50; 270.30] J/mol×K [283.80; 303.00] Show Hide
Cp,solid 251.00 J/mol×K 283.8 NIST
Cp,solid 270.30 J/mol×K 298.1 NIST
Cp,solid 210.50 J/mol×K 298.15 NIST
Cp,solid 267.30 J/mol×K 303.0 NIST
η 0.00 Pa×s 497.68 Joback Calculated Property
ΔfusH 1.98 kJ/mol 296.8 NIST
ΔfusH 10.67 kJ/mol 328.2 NIST
ΔvapH 57.80 kJ/mol 420.5 NIST
ΔfusS 6.67 J/mol×K 296.8 NIST
ΔfusS 32.51 J/mol×K 328.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 5
-CH3 5
=CH- (ring) 1

Similar Compounds

Benzene, hexamethyl-. 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, pentamethyl-.

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