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-1,3-dimethylbenzene
• 2-Chloro-m-xylene
• m-Xylene, 2-chloro-

• 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).
• 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
ΔfG°	97.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-10.60	kJ/mol	Joback Calculated Property
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	41.39	kJ/mol	Joback Calculated Property
log10WS	-3.11		Crippen 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	676.11	K	Joback Calculated Property
Tfus	261.30	K	Joback Calculated Property
Vc	0.424	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.65; 261.31]	J/mol×K	[456.51; 676.11]
Cp,gas	202.65	J/mol×K	456.51	Joback Calculated Property
Cp,gas	213.88	J/mol×K	493.11	Joback Calculated Property
Cp,gas	224.50	J/mol×K	529.71	Joback Calculated Property
Cp,gas	234.54	J/mol×K	566.31	Joback Calculated Property
Cp,gas	244.00	J/mol×K	602.91	Joback Calculated Property
Cp,gas	252.92	J/mol×K	639.51	Joback Calculated Property
Cp,gas	261.31	J/mol×K	676.11	Joback Calculated Property
η	[0.0002426; 0.0016353]	Pa×s	[261.30; 456.51]
η	0.0016353	Pa×s	261.30	Joback Calculated Property
η	0.0009978	Pa×s	293.84	Joback Calculated Property
η	0.0006718	Pa×s	326.37	Joback Calculated Property
η	0.0004860	Pa×s	358.90	Joback Calculated Property
η	0.0003710	Pa×s	391.44	Joback Calculated Property
η	0.0002952	Pa×s	423.98	Joback Calculated Property
η	0.0002426	Pa×s	456.51	Joback Calculated Property
Pvap	[0.02; 0.21]	kPa	[274.50; 305.40]
Pvap	0.02	kPa	274.50	Vaporiz...
Pvap	0.03	kPa	276.20	Vaporiz...
Pvap	0.03	kPa	279.20	Vaporiz...
Pvap	0.04	kPa	282.20	Vaporiz...
Pvap	0.05	kPa	284.10	Vaporiz...
Pvap	0.06	kPa	287.10	Vaporiz...
Pvap	0.06	kPa	287.20	Vaporiz...
Pvap	0.07	kPa	290.10	Vaporiz...
Pvap	0.09	kPa	293.30	Vaporiz...
Pvap	0.11	kPa	296.30	Vaporiz...
Pvap	0.13	kPa	298.20	Vaporiz...
Pvap	0.13	kPa	298.30	Vaporiz...
Pvap	0.13	kPa	298.30	Vaporiz...
Pvap	0.15	kPa	300.40	Vaporiz...
Pvap	0.21	kPa	305.40	Vaporiz...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[337.32; 485.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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