Chemical Properties of Benzene, 1,3-dichloro-2-methyl- (CAS 118-69-4)

InChI

InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChI Key

DMEDNTFWIHCBRK-UHFFFAOYSA-N

Formula

C7H6Cl2

SMILES

Cc1c(Cl)cccc1Cl

Molecular Weight¹

161.03

CAS

118-69-4

Other Names

• 1,3-dichloro-2-methylbenzene
• 2,6-dichloro-1-methylbenzene
• 2,6-dichlorotoluene
• toluene, 2,6-dichloro-

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.3276		Relay (1.0) Calculated Property
ΔfG°	77.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-14.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	49.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.302		Crippen Calculated Property
McVol	110.210	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[1104.00; 1116.00]
Inp	1104.00		NIST
Inp	1116.00		NIST
Inp	1110.00		NIST
Inp	1104.00		NIST
Tboil	472.70	K	NIST
Tc	703.13	K	Relay (1.0) Calculated Property
Tfus	324.74	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.67; 234.30]	J/mol×K	[471.06; 700.48]
Cp,gas	186.67	J/mol×K	471.06	Joback Calculated Property
Cp,gas	195.96	J/mol×K	509.30	Joback Calculated Property
Cp,gas	204.68	J/mol×K	547.53	Joback Calculated Property
Cp,gas	212.85	J/mol×K	585.77	Joback Calculated Property
Cp,gas	220.49	J/mol×K	624.01	Joback Calculated Property
Cp,gas	227.64	J/mol×K	662.24	Joback Calculated Property
Cp,gas	234.30	J/mol×K	700.48	Joback Calculated Property
η	[0.0002751; 0.0016666]	Pa×s	[279.95; 471.06]
η	0.0016666	Pa×s	279.95	Joback Calculated Property
η	0.0010588	Pa×s	311.80	Joback Calculated Property
η	0.0007317	Pa×s	343.65	Joback Calculated Property
η	0.0005384	Pa×s	375.50	Joback Calculated Property
η	0.0004156	Pa×s	407.36	Joback Calculated Property
η	0.0003331	Pa×s	439.21	Joback Calculated Property
η	0.0002751	Pa×s	471.06	Joback Calculated Property
ΔfusH	10.70	kJ/mol	272.00	NIST
Pvap	[0.03; 0.35]	kPa	[274.20; 305.30]
Pvap	0.03	kPa	274.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.04	kPa	276.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.05	kPa	278.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.06	kPa	280.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.07	kPa	282.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.08	kPa	284.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.11	kPa	288.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.13	kPa	291.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.15	kPa	293.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.19	kPa	296.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.22	kPa	298.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.27	kPa	301.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.35	kPa	305.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[344.42; 505.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38109e+01
Coefficient B			-3.68225e+03
Coefficient C			-7.21300e+01
Temperature range, min.			344.42
Temperature range, max.			505.37
Pvap	1.33	kPa	344.42	Calculated Property
Pvap	3.07	kPa	362.30	Calculated Property
Pvap	6.41	kPa	380.19	Calculated Property
Pvap	12.35	kPa	398.07	Calculated Property
Pvap	22.22	kPa	415.95	Calculated Property
Pvap	37.74	kPa	433.84	Calculated Property
Pvap	60.96	kPa	451.72	Calculated Property
Pvap	94.32	kPa	469.60	Calculated Property
Pvap	140.55	kPa	487.49	Calculated Property
Pvap	202.66	kPa	505.37	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-dichloro-2-methyl-.

Mixtures

• Benzene, 1,3-dichloro-2-methyl- + Furfural + Water
• Pentanoic acid, 4-oxo- + Benzene, 1,3-dichloro-2-methyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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