Chemical Properties of Benzene, 1,2,3,5-tetramethyl- (CAS 527-53-7)

Benzene, 1,2,3,5-tetramethyl-

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InChI
InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
InChI Key
BFIMMTCNYPIMRN-UHFFFAOYSA-N
Formula
C10H14
SMILES
Cc1cc(C)c(C)c(C)c1
Molecular Weight1
134.22
CAS
527-53-7
Other Names
  • 1,2,3,5-Tetramethylbenzene
  • Isodurene
Sources

Physical Properties

Property Value Unit Source
PAff 845.60 kJ/mol NIST
BasG 816.50 kJ/mol NIST
Δcliquid -5839.60 ± 1.10 kJ/mol NIST
Δcliquid -5837.50 ± 3.00 kJ/mol NIST
Δcliquid -5815.30 ± 5.90 kJ/mol NIST
EA 0.11 ± 0.01 eV NIST
Δf 116.84 kJ/mol Joback Calculated Property
Δfgas -43.20 ± 1.30 kJ/mol NIST
Δfgas -44.40 ± 1.20 kJ/mol NIST
Δfgas -46.50 ± 3.00 kJ/mol NIST
Δfliquid -96.40 ± 1.20 kJ/mol NIST
Δfliquid -98.50 ± 3.00 kJ/mol NIST
Δfus 14.53 kJ/mol Joback Calculated Property
Δvap [51.98; 55.80] kJ/mol Show Hide
Δvap 53.20 kJ/mol NIST
Δvap 51.98 ± 0.17 kJ/mol NIST
Δvap 52.00 ± 0.20 kJ/mol NIST
Δvap 55.80 kJ/mol NIST
IE 8.47 ± 0.05 eV NIST
IE 8.07 eV NIST
IE 8.30 ± 0.03 eV NIST
logPoct/wat 2.92 Crippen Calculated Property
Pc 2793.56 kPa Joback Calculated Property
liquid 310.00 J/mol×K NIST
Tboil [461.07; 473.10] K Show Hide
Tboil 471.20 K NIST
Tboil 471.25 ± 0.50 K NIST
Tboil 470.40 ± 1.50 K NIST
Tboil 468.70 ± 1.00 K NIST
Tboil 471.30 ± 0.30 K NIST
Tboil 471.30 ± 0.30 K NIST
Tboil 468.70 ± 3.00 K NIST
Tboil 468.00 ± 4.00 K NIST
Tboil 471.30 ± 0.30 K NIST
Tboil 471.30 ± 0.30 K NIST
Tboil 471.11 ± 0.30 K NIST
Tboil 470.70 ± 1.00 K NIST
Tboil 471.04 ± 0.30 K NIST
Tboil 471.04 ± 0.30 K NIST
Tboil 471.07 ± 0.15 K NIST
Tboil 473.10 ± 2.00 K NIST
Tboil 471.07 ± 0.20 K NIST
Tboil 470.98 ± 0.30 K NIST
Tboil Outlier 461.07 ± 0.40 K NIST
Tboil 469.00 ± 3.00 K NIST
Tc 678.39 K Joback Calculated Property
Tfus [245.78; 249.95] K Show Hide
Tfus 249.42 ± 0.03 K NIST
Tfus 249.45 ± 0.02 K NIST
Tfus 249.46 ± 0.01 K NIST
Tfus 249.34 ± 0.20 K NIST
Tfus 249.38 ± 0.20 K NIST
Tfus 249.04 ± 0.30 K NIST
Tfus 248.94 ± 0.40 K NIST
Tfus 249.95 ± 0.20 K NIST
Tfus 249.03 ± 0.50 K NIST
Tfus 249.30 ± 0.30 K NIST
Tfus Outlier 245.78 ± 0.50 K NIST
Tfus 249.20 ± 1.00 K NIST
Tfus 249.00 ± 0.20 K NIST
Ttriple 248.60 ± 0.30 K NIST
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 258.77 J/mol×K 469.82 Joback Calculated Property
Cp,liquid 240.20 J/mol×K 297.1 NIST
η 0.00 Pa×s 469.82 Joback Calculated Property
ΔfusH 12.93 kJ/mol 248.6 NIST
ΔfusH 12.93 kJ/mol 248.6 NIST
ΔvapH 58.90 kJ/mol 392.5 NIST
ΔvapH 50.00 kJ/mol 425.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-CH3 4
=CH- (ring) 2

Similar Compounds

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

Find more compounds similar to Benzene, 1,2,3,5-tetramethyl-.

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