Chemical Properties of Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-

InChI

InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChI Key

WAXIFMGAKWIFDQ-UHFFFAOYSA-N

Formula

C11H15Cl

SMILES

CC(C)(C)c1ccc(CCl)cc1

Molecular Weight¹

182.69

Other Names

• p-tert-Butyl-«alpha»-chlorotoluene
• p-tert-Butylbenzyl chloride
• 4-(tert-Butyl)benzyl chloride
• Benzene,1-(chloromethyl)-4-dimethylethyl)-
• p-(tert-butyl)-alpha-chlorotoluene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.07; 475.00]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.82990e+01
Coefficient B			1.04306e+00
Coefficient C			-7.30960e-04
Coefficient D			2.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.07	J/mol×K	273.00	Calculated Property
Cp,gas	248.14	J/mol×K	353.78	Calculated Property
Cp,gas	293.45	J/mol×K	434.56	Calculated Property
Cp,gas	332.64	J/mol×K	515.33	Calculated Property
Cp,gas	366.35	J/mol×K	596.11	Calculated Property
Cp,gas	395.23	J/mol×K	676.89	Calculated Property
Cp,gas	419.89	J/mol×K	757.67	Calculated Property
Cp,gas	440.98	J/mol×K	838.44	Calculated Property
Cp,gas	459.14	J/mol×K	919.22	Calculated Property
Cp,gas	475.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032297; 0.0002078]	Pa×s	[285.01; 517.61]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18412e+01
Coefficient B			1.74022e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			285.01
Temperature range, max.			517.61
η	0.0032297	Pa×s	285.01	Calculated Property
η	0.0019440	Pa×s	310.85	Calculated Property
η	0.0012650	Pa×s	336.70	Calculated Property
η	0.0008751	Pa×s	362.54	Calculated Property
η	0.0006358	Pa×s	388.39	Calculated Property
η	0.0004808	Pa×s	414.23	Calculated Property
η	0.0003757	Pa×s	440.08	Calculated Property
η	0.0003017	Pa×s	465.92	Calculated Property
η	0.0002479	Pa×s	491.77	Calculated Property
η	0.0002078	Pa×s	517.61	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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