Chemical Properties of Benzene, 1-chloro-3-(chloromethyl)- (CAS 620-20-2)

InChI

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

InChI Key

DDGRAFHHXYIQQR-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

ClCc1cccc(Cl)c1

Molecular Weight¹

161.03

CAS

620-20-2

Other Names

• 1-Chloro-3-(chloromethyl)benzene
• 3-Chlorobenzyl chloride
• M,«alpha»-dichlorotoluene
• Toluene, m,«alpha»-dichloro-
• m-Chlorbenzyl chloride
• m-Chlorobenzyl chloride
• «alpha»,3-dichlorotoluene
• «alpha»,m-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_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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.80; 236.24]	J/mol×K	[466.08; 694.10]
Cp,gas	186.80	J/mol×K	466.08	Joback Calculated Property
Cp,gas	196.57	J/mol×K	504.08	Joback Calculated Property
Cp,gas	205.68	J/mol×K	542.09	Joback Calculated Property
Cp,gas	214.17	J/mol×K	580.09	Joback Calculated Property
Cp,gas	222.08	J/mol×K	618.09	Joback Calculated Property
Cp,gas	229.42	J/mol×K	656.09	Joback Calculated Property
Cp,gas	236.24	J/mol×K	694.10	Joback Calculated Property
η	[0.0002875; 0.0022622]	Pa×s	[267.43; 466.08]
η	0.0022622	Pa×s	267.43	Joback Calculated Property
η	0.0013273	Pa×s	300.54	Joback Calculated Property
η	0.0008657	Pa×s	333.65	Joback Calculated Property
η	0.0006099	Pa×s	366.75	Joback Calculated Property
η	0.0004554	Pa×s	399.86	Joback Calculated Property
η	0.0003555	Pa×s	432.97	Joback Calculated Property
η	0.0002875	Pa×s	466.08	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[358.82; 521.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40109e+01
Coefficient B			-3.86567e+03
Coefficient C			-7.71340e+01
Temperature range, min.			358.82
Temperature range, max.			521.49
Pvap	1.33	kPa	358.82	Calculated Property
Pvap	3.05	kPa	376.89	Calculated Property
Pvap	6.35	kPa	394.97	Calculated Property
Pvap	12.22	kPa	413.04	Calculated Property
Pvap	21.99	kPa	431.12	Calculated Property
Pvap	37.37	kPa	449.19	Calculated Property
Pvap	60.48	kPa	467.27	Calculated Property
Pvap	93.79	kPa	485.34	Calculated Property
Pvap	140.13	kPa	503.42	Calculated Property
Pvap	202.64	kPa	521.49	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-(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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