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
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
Cp,gas	[128.63; 272.40]	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			1.70000e+01
Coefficient B			4.84520e-01
Coefficient C			-2.94920e-04
Coefficient D			6.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.63	J/mol×K	273.00	Calculated Property
Cp,gas	154.41	J/mol×K	353.78	Calculated Property
Cp,gas	177.26	J/mol×K	434.56	Calculated Property
Cp,gas	197.37	J/mol×K	515.33	Calculated Property
Cp,gas	214.97	J/mol×K	596.11	Calculated Property
Cp,gas	230.25	J/mol×K	676.89	Calculated Property
Cp,gas	243.42	J/mol×K	757.67	Calculated Property
Cp,gas	254.70	J/mol×K	838.44	Calculated Property
Cp,gas	264.29	J/mol×K	919.22	Calculated Property
Cp,gas	272.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016666; 0.0002477]	Pa×s	[279.95; 490.54]	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			-1.08374e+01
Coefficient B			1.24310e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.95
Temperature range, max.			490.54
η	0.0016666	Pa×s	279.95	Calculated Property
η	0.0011833	Pa×s	303.35	Calculated Property
η	0.0008823	Pa×s	326.75	Calculated Property
η	0.0006842	Pa×s	350.15	Calculated Property
η	0.0005478	Pa×s	373.55	Calculated Property
η	0.0004502	Pa×s	396.95	Calculated Property
η	0.0003782	Pa×s	420.35	Calculated Property
η	0.0003236	Pa×s	443.75	Calculated Property
η	0.0002812	Pa×s	467.14	Calculated Property
η	0.0002477	Pa×s	490.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[344.42; 505.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.