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

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

• Benzene, 1-chloro-4-(1,1-dimethylethyl)-
• Benzene, 1-tert-butyl-4-chloro-
• p-Chloro-tert-butylbenzene
• 1-tert-Butyl-4-chlorobenzene
• p-tert-Butylchlorobenzene
• 4-Chloro-tert-butylbenzene
• 4-tert-Butyl-chlorobenzene
• 4-tert-butyl-1-chlorobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	127.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.16	kJ/mol	Joback Calculated Property
ΔfH°liquid	-108.00 ± 3.00	kJ/mol	NIST
ΔfusH°	12.09	kJ/mol	Joback Calculated Property
ΔvapH°	43.88	kJ/mol	Joback Calculated Property
IE	[8.48; 8.82]	eV
IE	8.56 ± 0.02	eV	NIST
IE	8.48	eV	NIST
IE	8.70	eV	NIST
IE	8.82	eV	NIST
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	3.637		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Tboil	[484.20; 488.00]	K
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	0.525	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.69; 365.18]	J/mol×K	[494.06; 720.15]
Cp,gas	288.69	J/mol×K	494.06	Joback Calculated Property
Cp,gas	303.90	J/mol×K	531.74	Joback Calculated Property
Cp,gas	318.04	J/mol×K	569.42	Joback Calculated Property
Cp,gas	331.18	J/mol×K	607.10	Joback Calculated Property
Cp,gas	343.37	J/mol×K	644.79	Joback Calculated Property
Cp,gas	354.69	J/mol×K	682.47	Joback Calculated Property
Cp,gas	365.18	J/mol×K	720.15	Joback Calculated Property
η	[0.0002270; 0.0033165]	Pa×s	[273.74; 494.06]
η	0.0033165	Pa×s	273.74	Joback Calculated Property
η	0.0016285	Pa×s	310.46	Joback Calculated Property
η	0.0009295	Pa×s	347.18	Joback Calculated Property
η	0.0005906	Pa×s	383.90	Joback Calculated Property
η	0.0004062	Pa×s	420.62	Joback Calculated Property
η	0.0002967	Pa×s	457.34	Joback Calculated Property
η	0.0002270	Pa×s	494.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-4-(1,1-dimethylethyl)benzene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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