Chemical Properties of Benzene, 2-chloro-1,3-dimethyl- (CAS 6781-98-2)

InChI

InChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

InChI Key

VDXLAYAQGYCQEO-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

Cc1cccc(C)c1Cl

Molecular Weight¹

140.61

CAS

6781-98-2

Other Names

• 1-Chloro-2,6-dimethylbenzene
• 2,6-Dimethylchlorobenzene
• 2,6-Dimethylphenyl chloride
• 2-Chloro-m-xylene
• 2-chloro-1,3-dimethylbenzene
• m-Xylene, 2-chloro-

• 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_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	0.3264		Relay (1.0) Calculated Property
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	46.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.957		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1050.00; 1056.00]
Inp	1056.00		NIST
Inp	1050.00		NIST
Tboil	[455.70; 459.20]	K
Tboil	455.70	K	NIST
Tboil	459.20	K	NIST
Tc	681.07	K	Relay (1.0) Calculated Property
Tfus	237.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.412	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.02; 0.21]	kPa	[274.50; 305.40]
Pvap	0.02	kPa	274.50	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.03	kPa	276.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.03	kPa	279.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.04	kPa	282.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.05	kPa	284.10	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.06	kPa	287.10	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.06	kPa	287.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.07	kPa	290.10	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.09	kPa	293.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.11	kPa	296.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.13	kPa	298.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.13	kPa	298.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.13	kPa	298.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.15	kPa	300.40	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.21	kPa	305.40	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.44; 315.72]	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			3.20000e+00
Coefficient B			5.72740e-01
Coefficient C			-3.28920e-04
Coefficient D			6.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.44	J/mol×K	273.00	Calculated Property
Cp,gas	167.70	J/mol×K	353.78	Calculated Property
Cp,gas	195.61	J/mol×K	434.56	Calculated Property
Cp,gas	220.40	J/mol×K	515.33	Calculated Property
Cp,gas	242.29	J/mol×K	596.11	Calculated Property
Cp,gas	261.48	J/mol×K	676.89	Calculated Property
Cp,gas	278.21	J/mol×K	757.67	Calculated Property
Cp,gas	292.68	J/mol×K	838.44	Calculated Property
Cp,gas	305.11	J/mol×K	919.22	Calculated Property
Cp,gas	315.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025495; 0.0002214]	Pa×s	[237.65; 473.48]	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			-1.08780e+01
Coefficient B			1.16594e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			237.65
Temperature range, max.			473.48
η	0.0025495	Pa×s	237.65	Calculated Property
η	0.0015662	Pa×s	263.85	Calculated Property
η	0.0010507	Pa×s	290.06	Calculated Property
η	0.0007531	Pa×s	316.26	Calculated Property
η	0.0005680	Pa×s	342.46	Calculated Property
η	0.0004459	Pa×s	368.67	Calculated Property
η	0.0003615	Pa×s	394.87	Calculated Property
η	0.0003008	Pa×s	421.07	Calculated Property
η	0.0002558	Pa×s	447.28	Calculated Property
η	0.0002214	Pa×s	473.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[337.32; 485.07]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44419e+01
Coefficient B			-3.80081e+03
Coefficient C			-6.87940e+01
Temperature range, min.			337.32
Temperature range, max.			485.07
Pvap	1.33	kPa	337.32	Calculated Property
Pvap	3.01	kPa	353.74	Calculated Property
Pvap	6.23	kPa	370.15	Calculated Property
Pvap	11.96	kPa	386.57	Calculated Property
Pvap	21.52	kPa	402.99	Calculated Property
Pvap	36.65	kPa	419.40	Calculated Property
Pvap	59.51	kPa	435.82	Calculated Property
Pvap	92.72	kPa	452.24	Calculated Property
Pvap	139.29	kPa	468.65	Calculated Property
Pvap	202.64	kPa	485.07	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 2-chloro-1,3-dimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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