Chemical Properties of Benzene, 1-chloro-4-(chloromethyl)- (CAS 104-83-6)

InChI

InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChI Key

JQZAEUFPPSRDOP-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

ClCc1ccc(Cl)cc1

Molecular Weight¹

161.03

CAS

104-83-6

Other Names

• (4-Chlorophenyl)methyl chloride
• 1-Chloro-4-(chloromethyl)benzene
• 4-Chlorobenzyl chloride
• NSC 34032
• Toluene, p,«alpha»-dichloro-
• p,«alpha»-Dichlorotoluene
• p-Chlorobenzyl chloride
• p-Chlorophenylmethyl chloride
• «alpha»,4-Dichlorotoluene
• «alpha»,p-Dichlorotoluene

• 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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.08; 275.44]	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			2.70100e+00
Coefficient B			5.44000e-01
Coefficient C			-3.61960e-04
Coefficient D			9.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.08	J/mol×K	273.00	Calculated Property
Cp,gas	153.87	J/mol×K	353.78	Calculated Property
Cp,gas	178.19	J/mol×K	434.56	Calculated Property
Cp,gas	199.33	J/mol×K	515.33	Calculated Property
Cp,gas	217.58	J/mol×K	596.11	Calculated Property
Cp,gas	233.22	J/mol×K	676.89	Calculated Property
Cp,gas	246.53	J/mol×K	757.67	Calculated Property
Cp,gas	257.82	J/mol×K	838.44	Calculated Property
Cp,gas	267.36	J/mol×K	919.22	Calculated Property
Cp,gas	275.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022622; 0.0002565]	Pa×s	[267.43; 486.08]	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			-1.09314e+01
Coefficient B			1.29436e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.43
Temperature range, max.			486.08
η	0.0022622	Pa×s	267.43	Calculated Property
η	0.0015118	Pa×s	291.72	Calculated Property
η	0.0010749	Pa×s	316.02	Calculated Property
η	0.0008024	Pa×s	340.31	Calculated Property
η	0.0006227	Pa×s	364.61	Calculated Property
η	0.0004989	Pa×s	388.90	Calculated Property
η	0.0004102	Pa×s	413.19	Calculated Property
η	0.0003447	Pa×s	437.49	Calculated Property
η	0.0002950	Pa×s	461.78	Calculated Property
η	0.0002565	Pa×s	486.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[364.42; 505.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54460e+01
Coefficient B			-4.32529e+03
Coefficient C			-7.90800e+01
Temperature range, min.			364.42
Temperature range, max.			505.87
Pvap	1.33	kPa	364.42	Calculated Property
Pvap	2.94	kPa	380.14	Calculated Property
Pvap	6.00	kPa	395.85	Calculated Property
Pvap	11.44	kPa	411.57	Calculated Property
Pvap	20.58	kPa	427.29	Calculated Property
Pvap	35.19	kPa	443.00	Calculated Property
Pvap	57.56	kPa	458.72	Calculated Property
Pvap	90.53	kPa	474.44	Calculated Property
Pvap	137.55	kPa	490.15	Calculated Property
Pvap	202.65	kPa	505.87	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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