Chemical Properties of 1-Chloro-4-(1,1-dimethylethyl)benzene (CAS 3972-56-3)

1-Chloro-4-(1,1-dimethylethyl)benzene

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InChI
InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI Key
XRTANKYQJQXSFP-UHFFFAOYSA-N
Formula
C10H13Cl
SMILES
CC(C)(C)c1ccc(Cl)cc1
Molecular Weight1
168.66
CAS
3972-56-3
Other Names
  • 1-tert-Butyl-4-chlorobenzene
  • 4-Chloro-tert-butylbenzene
  • 4-tert-Butyl-chlorobenzene
  • 4-tert-butyl-1-chlorobenzene
  • Benzene, 1-chloro-4-(1,1-dimethylethyl)-
  • Benzene, 1-tert-butyl-4-chloro-
  • p-Chloro-tert-butylbenzene
  • p-tert-Butylchlorobenzene
Sources

Physical Properties

Property Value Unit Source
Δf 127.01 kJ/mol Joback Calculated Property
Δfgas -49.16 kJ/mol Joback Calculated Property
Δfliquid -108.00 ± 3.00 kJ/mol NIST
Δfus 12.09 kJ/mol Joback Calculated Property
Δvap 43.88 kJ/mol Joback Calculated Property
IE [8.48; 8.82] eV Show Hide
IE 8.56 ± 0.02 eV NIST
IE 8.48 eV NIST
IE 8.70 eV NIST
IE 8.82 eV NIST
logPoct/wat 3.64 Crippen Calculated Property
Pc 2829.33 kPa Joback Calculated Property
Tboil 484.20 K NIST
Tboil 485.00 ± 5.00 K NIST
Tboil 488.00 ± 3.00 K NIST
Tc 720.15 K Joback Calculated Property
Tfus 273.74 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 288.69 J/mol×K 494.06 Joback Calculated Property
η 0.00 Pa×s 494.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-Cl 1
>C< 1
-CH3 3
=CH- (ring) 4

Similar Compounds

Benzene, 1-chloro-4-(1-methylethyl)-. Benzene, 1-chloro-4-ethyl-. m-Tert-butyl chlorobenzene. Benzene, tert-butyl-. p-Chloropropylbenzene. 4-Chlorophenyl methyl carbinol. Benzene, 1-chloro-4-(2-fluoroethyl). 1-Bromo-2-(4-chlorophenyl)ethane. Benzeneacetonitrile, 4-chloro-. 4-Tert-butyltoluene. Benzene, 1-chloro-4-(1-methylbutyl). Benzene, 1,4-bis(1,1-dimethylethyl)-. Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. 1-Tert-butyl-4-isopropylbenzene. 4-n-Butylchlorobenzene.

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