Chemical Properties of Benzene, 1,2-dichloro-4-(chloromethyl)- (CAS 102-47-6)

InChI

InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

InChI Key

YZIFVWOCPGPNHB-UHFFFAOYSA-N

Formula

C7H5Cl3

SMILES

ClCc1ccc(Cl)c(Cl)c1

Molecular Weight¹

195.47

CAS

102-47-6

Other Names

• 1,2-Dichloro-4-(chloromethyl)benzene
• 3,4-Dichlorobenzyl chloride
• Benzene, 3,4-dichloro-1-chloromethyl
• Toluene, «alpha»,3,4-trichloro-
• «alpha»,3,4-Trichlorotoluene

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.04; 280.67]	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			2.98910e+01
Coefficient B			4.91300e-01
Coefficient C			-3.15320e-04
Coefficient D			7.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.04	J/mol×K	273.00	Calculated Property
Cp,gas	167.55	J/mol×K	353.78	Calculated Property
Cp,gas	189.98	J/mol×K	434.56	Calculated Property
Cp,gas	209.57	J/mol×K	515.33	Calculated Property
Cp,gas	226.56	J/mol×K	596.11	Calculated Property
Cp,gas	241.17	J/mol×K	676.89	Calculated Property
Cp,gas	253.65	J/mol×K	757.67	Calculated Property
Cp,gas	264.24	J/mol×K	838.44	Calculated Property
Cp,gas	273.17	J/mol×K	919.22	Calculated Property
Cp,gas	280.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017070; 0.0002689]	Pa×s	[309.87; 520.69]	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			-1.09376e+01
Coefficient B			1.41442e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			309.87
Temperature range, max.			520.69
η	0.0017070	Pa×s	309.87	Calculated Property
η	0.0012386	Pa×s	333.29	Calculated Property
η	0.0009373	Pa×s	356.72	Calculated Property
η	0.0007342	Pa×s	380.14	Calculated Property
η	0.0005916	Pa×s	403.57	Calculated Property
η	0.0004881	Pa×s	426.99	Calculated Property
η	0.0004108	Pa×s	450.41	Calculated Property
η	0.0003518	Pa×s	473.84	Calculated Property
η	0.0003056	Pa×s	497.26	Calculated Property
η	0.0002689	Pa×s	520.69	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[376.32; 549.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37973e+01
Coefficient B			-3.94803e+03
Coefficient C			-8.40840e+01
Temperature range, min.			376.32
Temperature range, max.			549.33
Pvap	1.33	kPa	376.32	Calculated Property
Pvap	3.07	kPa	395.54	Calculated Property
Pvap	6.41	kPa	414.77	Calculated Property
Pvap	12.36	kPa	433.99	Calculated Property
Pvap	22.24	kPa	453.21	Calculated Property
Pvap	37.76	kPa	472.44	Calculated Property
Pvap	60.99	kPa	491.66	Calculated Property
Pvap	94.35	kPa	510.88	Calculated Property
Pvap	140.57	kPa	530.11	Calculated Property
Pvap	202.64	kPa	549.33	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dichloro-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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