Chemical Properties of Benzene, 1-chloro-4-methyl- (CAS 106-43-4)

InChI

InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI Key

NPDACUSDTOMAMK-UHFFFAOYSA-N

Formula

C7H7Cl

SMILES

Cc1ccc(Cl)cc1

Molecular Weight¹

126.58

CAS

106-43-4

Other Names

• 1-Methyl-4-chlorobenzene
• 1-chloro-4-methylbenzene
• 4-Chloro-1-methylbenzene
• 4-Methylphenyl chloride
• 4-Tolyl chloride
• 4-chlorotoluene
• NSC 404114
• p-Tolyl chloride
• p-chlorotoluene
• para-Chlorotoluene
• toluene, 4-chloro-
• toluene, p-chloro-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2989		Relay (1.0) Calculated Property
PAff	762.90	kJ/mol	NIST
BasG	735.20	kJ/mol	NIST
ΔcH°liquid	-3750.00 ± 10.00	kJ/mol	NIST
ΔfG°	98.91	kJ/mol	Joback Calculated Property
ΔfH°gas	17.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.73	kJ/mol	Joback Calculated Property
ΔvapH°	[38.70; 46.00]	kJ/mol
ΔvapH°	46.00	kJ/mol	NIST
ΔvapH°	38.70 ± 0.02	kJ/mol	NIST
IE	[8.69; 8.80]	eV
IE	8.69 ± 0.03	eV	NIST
IE	8.80 ± 0.10	eV	NIST
IE	8.70 ± 0.02	eV	NIST
IE	8.69 ± 0.02	eV	NIST
IE	8.80	eV	NIST
log10WS	[-3.08; -3.08]
log10WS	-3.08		Aq. Solubility Prediction
log10WS	-3.08		Estimated Solubility
logPoct/wat	2.648		Crippen Calculated Property
McVol	97.970	ml/mol	McGowan Calculated Property
Pc	3853.09	kPa	Joback Calculated Property
Inp	[151.00; 997.00]
Inp	936.30		NIST
Inp	941.30		NIST
Inp	956.40		NIST
Inp	961.70		NIST
Inp	970.00		NIST
Inp	944.40		NIST
Inp	931.00		NIST
Inp	938.50		NIST
Inp	958.00		NIST
Inp	944.00		NIST
Inp	960.00		NIST
Inp	941.00		NIST
Inp	997.00		NIST
Inp	960.00		NIST
Inp	936.00		NIST
Inp	955.00		NIST
Inp	Outlier 151.00		NIST
Inp	958.00		NIST
Inp	944.40		NIST
I	[1288.00; 1304.00]
I	1291.00		NIST
I	1304.00		NIST
I	1291.00		NIST
I	1288.00		NIST
Tboil	[433.70; 435.65]	K
Tboil	435.55	K	KDB
Tboil	435.20	K	NIST
Tboil	435.25 ± 0.40	K	NIST
Tboil	434.40 ± 0.60	K	NIST
Tboil	435.55 ± 0.30	K	NIST
Tboil	435.60 ± 0.60	K	NIST
Tboil	435.55 ± 0.30	K	NIST
Tboil	435.13 ± 0.20	K	NIST
Tboil	435.60 ± 0.50	K	NIST
Tboil	434.85 ± 0.30	K	NIST
Tboil	435.65 ± 0.30	K	NIST
Tboil	435.25 ± 0.50	K	NIST
Tboil	434.65 ± 1.50	K	NIST
Tboil	Outlier 433.70 ± 3.00	K	NIST
Tc	615.90 ± 0.50	K	NIST
Tfus	[279.70; 280.95]	K
Tfus	280.65	K	Aq. Solubility Prediction
Tfus	280.65 ± 0.50	K	NIST
Tfus	280.35 ± 0.50	K	NIST
Tfus	280.45 ± 0.60	K	NIST
Tfus	280.37 ± 0.30	K	NIST
Tfus	280.95 ± 0.50	K	NIST
Tfus	280.65 ± 0.30	K	NIST
Tfus	280.55 ± 0.50	K	NIST
Tfus	280.55 ± 0.50	K	NIST
Tfus	Outlier 279.70 ± 3.00	K	NIST
Vc	0.357	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.77; 217.11]	J/mol×K	[428.65; 649.87]
Cp,gas	163.77	J/mol×K	428.65	Joback Calculated Property
Cp,gas	174.12	J/mol×K	465.52	Joback Calculated Property
Cp,gas	183.86	J/mol×K	502.39	Joback Calculated Property
Cp,gas	193.00	J/mol×K	539.26	Joback Calculated Property
Cp,gas	201.57	J/mol×K	576.13	Joback Calculated Property
Cp,gas	209.60	J/mol×K	613.00	Joback Calculated Property
Cp,gas	217.11	J/mol×K	649.87	Joback Calculated Property
η	[0.0002591; 0.0021341]	Pa×s	[237.51; 428.65]
η	0.0021341	Pa×s	237.51	Joback Calculated Property
η	0.0012200	Pa×s	269.37	Joback Calculated Property
η	0.0007850	Pa×s	301.22	Joback Calculated Property
η	0.0005496	Pa×s	333.08	Joback Calculated Property
η	0.0004094	Pa×s	364.94	Joback Calculated Property
η	0.0003198	Pa×s	396.79	Joback Calculated Property
η	0.0002591	Pa×s	428.65	Joback Calculated Property
ΔfusH	[13.55; 13.55]	kJ/mol	[280.70; 280.70]
ΔfusH	13.55	kJ/mol	280.70	NIST
ΔfusH	13.55	kJ/mol	280.70	NIST
ΔvapH	[41.70; 44.10]	kJ/mol	[357.00; 398.50]
ΔvapH	44.10	kJ/mol	357.00	NIST
ΔvapH	41.70	kJ/mol	370.00	NIST
ΔvapH	43.50	kJ/mol	385.50	NIST
ΔvapH	41.80	kJ/mol	398.50	NIST
Pvap	[0.08; 93.32]	kPa	[274.30; 431.77]
Pvap	0.08	kPa	274.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.08	kPa	274.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.09	kPa	276.10	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.11	kPa	278.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.12	kPa	280.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.14	kPa	282.10	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.17	kPa	285.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.22	kPa	288.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.21	kPa	288.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.22	kPa	288.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.27	kPa	291.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.33	kPa	294.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.40	kPa	297.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.47	kPa	300.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.57	kPa	303.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.70	kPa	306.30	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	0.83	kPa	309.20	Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
Pvap	40.00	kPa	401.71	Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
Pvap	53.33	kPa	411.34	Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
Pvap	66.66	kPa	419.20	Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
Pvap	79.99	kPa	425.90	Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
Pvap	93.32	kPa	431.77	Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
n0	[1.51380; 1.51880]		[298.15; 308.15]
n0	1.51880		298.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
n0	1.51660		303.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
n0	1.51380		308.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
ρl	[1049.29; 1069.27]	kg/m3	[293.15; 313.15]
ρl	1069.27	kg/m3	293.15	Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
ρl	1069.00	kg/m3	293.15	Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
ρl	1065.00	kg/m3	298.15	Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
ρl	1064.37	kg/m3	298.15	Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
ρl	1064.93	kg/m3	298.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1065.14	kg/m3	298.15	Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
ρl	1060.54	kg/m3	303.15	Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
ρl	1060.00	kg/m3	303.15	Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
ρl	1059.56	kg/m3	303.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1059.46	kg/m3	303.15	Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
ρl	1054.00	kg/m3	308.15	Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
ρl	1054.27	kg/m3	308.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
ρl	1049.29	kg/m3	313.15	Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	317.20	K	1.30	NIST

Datasets

Viscosity, Pa*s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Viscosity, Pa*s - Liquid
101.00	303.15	0.0009
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[318.52; 464.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41461e+01
Coefficient B			-3.55136e+03
Coefficient C			-6.22610e+01
Temperature range, min.			318.52
Temperature range, max.			464.24
Pvap	1.33	kPa	318.52	Calculated Property
Pvap	3.04	kPa	334.71	Calculated Property
Pvap	6.31	kPa	350.90	Calculated Property
Pvap	12.13	kPa	367.09	Calculated Property
Pvap	21.83	kPa	383.28	Calculated Property
Pvap	37.14	kPa	399.48	Calculated Property
Pvap	60.17	kPa	415.67	Calculated Property
Pvap	93.44	kPa	431.86	Calculated Property
Pvap	139.85	kPa	448.05	Calculated Property
Pvap	202.63	kPa	464.24	Calculated Property
Pvap	[0.12; 3982.43]	kPa	[280.65; 660.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.00378e+02
Coefficient B			-9.03187e+03
Coefficient C			-1.25791e+01
Coefficient D			7.49089e-06
Temperature range, min.			280.65
Temperature range, max.			660.00
Pvap	0.12	kPa	280.65	Calculated Property
Pvap	1.66	kPa	322.80	Calculated Property
Pvap	11.17	kPa	364.95	Calculated Property
Pvap	46.75	kPa	407.10	Calculated Property
Pvap	142.23	kPa	449.25	Calculated Property
Pvap	347.53	kPa	491.40	Calculated Property
Pvap	728.70	kPa	533.55	Calculated Property
Pvap	1372.58	kPa	575.70	Calculated Property
Pvap	2398.86	kPa	617.85	Calculated Property
Pvap	3982.43	kPa	660.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-4-methyl-.

Mixtures

• Dimethyl Sulfoxide + Benzene, 1-chloro-4-methyl-
• N,N-Dimethylacetamide + Benzene, 1-chloro-4-methyl-
• Benzene + Benzene, 1-chloro-4-methyl-
• Benzene + 2-Pyrrolidinone, 1-methyl- + Benzene, 1-chloro-4-methyl-
• Tetrahydrofuran + Benzene, 1-chloro-4-methyl-
• Benzyl alcohol + Benzene, 1-chloro-4-methyl-
• Benzene, 1-chloro-4-methyl- + Water
• Benzene, 1-chloro-2-methyl- + Benzene, 1-chloro-4-methyl-
• 1-Decanol + Benzene, 1-chloro-4-methyl-
• 2-Pyrrolidinone, 1-methyl- + Benzene, 1-chloro-4-methyl-
• 2-Pyrrolidinone + Benzene, 1-chloro-4-methyl-
• Acetophenone + Benzene, 1-chloro-4-methyl-
• n-Hexane + Octane + Benzene, 1-chloro-4-methyl-
• n-Hexane + Decane + Benzene, 1-chloro-4-methyl-
• Octane + Heptane + Benzene, 1-chloro-4-methyl-
• Decane + Heptane + Benzene, 1-chloro-4-methyl-
• Decane + Octane + Benzene, 1-chloro-4-methyl-
• n-Hexane + Cyclohexane + Benzene, 1-chloro-4-methyl-
• Heptane + Cyclohexane + Benzene, 1-chloro-4-methyl-
• Octane + Cyclohexane + Benzene, 1-chloro-4-methyl-

Find more mixtures with Benzene, 1-chloro-4-methyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes
• Determination and correlation of vapor liquid equilibrium for binary systems consisting of close-boiling components
• Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
• Thermodynamics of binary mixtures: The effect of substituents in aromatics on their excess properties with benzylalcohol
• Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
• Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
• Solubility and dissolution mechanism of 4-chlorotoluene in subcritical water investigated in a fused silica capillary reactor by in situ Raman spectroscopy
• Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
• Excess heat capacities of mixtures containing 1-methylpyrrolidin-2-one, chlorotoluenes and benzene
• Influence of chlorine atom on interactions between halo-hydrocarbons and 1-nonanol: Density and speed of sound measurements
• Excess Volumes, Speeds of Sound, Isentropic Compressibilities, and Viscosities of Binary Mixtures of Acetophenone with Chlorotoluenes and Nitrotoluenes at 303.15 K
• Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Binary Mixtures at 298.15 K
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Excess Heat Capacities for Lactam + Chlorotoluene Binary Mixtures
• Measurement and Correlation of Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Alkane and Cycloalkane Solvents
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.