Chemical Properties of Benzene, 1,4-dichloro- (CAS 106-46-7)

InChI

InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

InChI Key

OCJBOOLMMGQPQU-UHFFFAOYSA-N

Formula

C6H4Cl2

SMILES

Clc1ccc(Cl)cc1

Molecular Weight¹

147.00

CAS

106-46-7

Other Names

• 1,4-Dichloorbenzeen
• 1,4-Dichlor-benzol
• 1,4-Diclorobenzene
• 1,4-chlorobenzene
• 1,4-dichlorobenzene
• Benzene, p-dichloro-
• Di-chloricide
• Dichlorobenzene
• Dichlorobenzene, p-
• Dichlorobenzene, para
• Dichlorocide
• Evola
• Globol
• Kaydox
• NCI-C54955
• NSC 36935
• PDB
• Paracide
• Paradi
• Paradichlorbenzol
• Paradichlorobenzol
• Paradow
• Paramoth
• Paranuggets
• Parazene
• Persia-Perazol
• Rcra waste number U070
• Rcra waste number U071
• Rcra waste number U072
• Santochlor
• UN 1592
• p-Chlorophenyl chloride
• p-Dichloorbenzeen
• p-Dichlorbenzene
• p-Dichlorbenzol
• p-Dichlorobenzol
• p-Diclorobenzene
• p-dichlorobenzene
• para crystals
• para-Dichlorobenzene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (kJ/mol).
• Δ_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3153		Relay (1.0) Calculated Property
ΔcH°liquid	-2937.00 ± 4.00	kJ/mol	NIST
ΔcH°solid	[-2939.90; -2934.10]	kJ/mol
ΔcH°solid	-2939.90	kJ/mol	NIST
ΔcH°solid	-2934.10 ± 1.00	kJ/mol	NIST
ΔfG°	78.56	kJ/mol	Joback Calculated Property
ΔfH°gas	24.60	kJ/mol	NIST
ΔfH°(+) ion	883.20	kJ/mol	NIST
ΔfH(+) ion,0K	895.80	kJ/mol	NIST
ΔfH°solid	-42.30 ± 1.00	kJ/mol	NIST
ΔfusH°	17.91	kJ/mol	Low-Temperature Heat Capacities and Derived Thermodynamic Functions of 1,4 Dichlorobenzene, 1,4 Dibromobenzene, 1,3,5 Trichlorobenzene, and 1,3,5 Tribromobenzene
ΔsubH°	[64.75; 65.20]	kJ/mol
ΔsubH°	64.75 ± 0.15	kJ/mol	NIST
ΔsubH°	65.20 ± 2.00	kJ/mol	NIST
ΔvapH°	[47.80; 54.80]	kJ/mol
ΔvapH°	54.80	kJ/mol	NIST
ΔvapH°	47.80	kJ/mol	NIST
IE	[8.89; 9.00]	eV
IE	8.92 ± 0.03	eV	NIST
IE	8.95	eV	NIST
IE	8.92 ± 0.02	eV	NIST
IE	8.97 ± 0.03	eV	NIST
IE	8.94	eV	NIST
IE	8.98 ± 0.02	eV	NIST
IE	8.89 ± 0.01	eV	NIST
IE	8.94 ± 0.01	eV	NIST
IE	8.95	eV	NIST
IE	8.99	eV	NIST
IE	9.00	eV	NIST
log10WS	[-3.29; -3.27]
log10WS	-3.29		Aq. Solubility Prediction
log10WS	-3.27		Estimated Solubility
logPoct/wat	2.993		Crippen Calculated Property
McVol	96.120	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	4151.61	kPa	Joback Calculated Property
Inp	[162.00; 1057.00]
Inp	1023.15		NIST
Inp	1023.18		NIST
Inp	1032.51		NIST
Inp	1032.76		NIST
Inp	1016.00		NIST
Inp	1037.40		NIST
Inp	1037.40		NIST
Inp	1046.00		NIST
Inp	1012.00		NIST
Inp	993.00		NIST
Inp	970.00		NIST
Inp	1016.00		NIST
Inp	970.00		NIST
Inp	1015.00		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1000.00		NIST
Inp	1021.24		NIST
Inp	1021.56		NIST
Inp	1024.00		NIST
Inp	1025.03		NIST
Inp	1014.90		NIST
Inp	991.21		NIST
Inp	990.60		NIST
Inp	989.50		NIST
Inp	1014.00		NIST
Inp	1009.00		NIST
Inp	996.00		NIST
Inp	991.00		NIST
Inp	987.00		NIST
Inp	1009.00		NIST
Inp	1024.00		NIST
Inp	1010.00		NIST
Inp	998.00		NIST
Inp	1013.00		NIST
Inp	1004.00		NIST
Inp	1004.00		NIST
Inp	960.00		NIST
Inp	970.00		NIST
Inp	974.00		NIST
Inp	1008.00		NIST
Inp	1015.00		NIST
Inp	1024.00		NIST
Inp	1007.00		NIST
Inp	1014.00		NIST
Inp	1016.00		NIST
Inp	1057.00		NIST
Inp	970.00		NIST
Inp	989.00		NIST
Inp	1009.00		NIST
Inp	1050.00		NIST
Inp	986.00		NIST
Inp	988.00		NIST
Inp	1047.00		NIST
Inp	1029.00		NIST
Inp	987.00		NIST
Inp	985.00		NIST
Inp	1000.00		NIST
Inp	985.00		NIST
Inp	988.00		NIST
Inp	995.00		NIST
Inp	994.00		NIST
Inp	1023.00		NIST
Inp	Outlier 163.00		NIST
Inp	Outlier 162.00		NIST
Inp	Outlier 163.15		NIST
Inp	Outlier 164.81		NIST
Inp	1013.00		NIST
Inp	974.00		NIST
I	[1420.00; 1495.00]
I	1483.20		NIST
I	1438.00		NIST
I	1438.00		NIST
I	1471.00		NIST
I	1438.00		NIST
I	1449.00		NIST
I	1449.00		NIST
I	1450.00		NIST
I	1446.09		NIST
I	1450.00		NIST
I	1446.00		NIST
I	1453.00		NIST
I	1420.00		NIST
I	1434.00		NIST
I	1436.00		NIST
I	1436.00		NIST
I	Outlier 1495.00		NIST
I	1420.00		NIST
S°solid,1 bar	175.41	J/mol×K	NIST
Tboil	[446.85; 447.75]	K
Tboil	446.85	K	KDB
Tboil	447.20	K	NIST
Tboil	447.27 ± 0.07	K	NIST
Tboil	447.60 ± 0.50	K	NIST
Tboil	447.75 ± 0.30	K	NIST
Tboil	447.30 ± 0.50	K	NIST
Tboil	446.85 ± 0.70	K	NIST
Tc	663.30	K	Relay (1.0) Calculated Property
Tfus	[325.00; 327.15]	K
Tfus	326.35	K	KDB
Tfus	326.41	K	Aq. Solubility Prediction
Tfus	326.56 ± 0.20	K	NIST
Tfus	326.70 ± 0.20	K	NIST
Tfus	326.70 ± 0.30	K	NIST
Tfus	326.15 ± 0.20	K	NIST
Tfus	325.90 ± 0.10	K	NIST
Tfus	326.00 ± 1.00	K	NIST
Tfus	326.28 ± 0.05	K	NIST
Tfus	326.14 ± 0.05	K	NIST
Tfus	326.15 ± 1.00	K	NIST
Tfus	326.00 ± 3.00	K	NIST
Tfus	326.00 ± 1.00	K	NIST
Tfus	326.00 ± 2.00	K	NIST
Tfus	326.14 ± 0.05	K	NIST
Tfus	326.00 ± 0.50	K	NIST
Tfus	326.30 ± 0.20	K	NIST
Tfus	326.00 ± 1.50	K	NIST
Tfus	326.35 ± 0.30	K	NIST
Tfus	325.99 ± 0.05	K	NIST
Tfus	Outlier 327.15 ± 1.00	K	NIST
Tfus	326.10 ± 0.50	K	NIST
Tfus	Outlier 325.25 ± 0.35	K	NIST
Tfus	326.25 ± 1.50	K	NIST
Tfus	326.15 ± 1.00	K	NIST
Tfus	Outlier 325.00 ± 2.00	K	NIST
Tfus	326.35 ± 0.50	K	NIST
Tfus	325.65 ± 0.50	K	NIST
Ttriple	[326.15; 326.16]	K
Ttriple	326.16	K	KDB
Ttriple	326.15 ± 0.01	K	NIST
Ttriple	326.15 ± 0.01	K	NIST
Vc	0.348	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[177.09; 183.21]	J/mol×K	[327.15; 353.15]
Cp,liquid	177.09	J/mol×K	327.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.53	J/mol×K	329.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.98	J/mol×K	331.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.43	J/mol×K	333.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.89	J/mol×K	335.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.35	J/mol×K	337.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.81	J/mol×K	339.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.28	J/mol×K	341.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.76	J/mol×K	343.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.24	J/mol×K	345.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.73	J/mol×K	347.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.22	J/mol×K	349.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.71	J/mol×K	351.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	183.21	J/mol×K	353.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,solid	[98.00; 172.00]	J/mol×K	[180.00; 299.80]
Cp,solid	98.00	J/mol×K	180.00	NIST
Cp,solid	147.60	J/mol×K	298.00	NIST
Cp,solid	147.76	J/mol×K	298.15	NIST
Cp,solid	142.70	J/mol×K	298.15	NIST
Cp,solid	172.00	J/mol×K	299.80	NIST
ΔfusH	[17.91; 18.19]	kJ/mol	[192.50; 326.20]
ΔfusH	17.91	kJ/mol	192.50	NIST
ΔfusH	18.16	kJ/mol	326.00	NIST
ΔfusH	18.16	kJ/mol	326.00	NIST
ΔfusH	18.16	kJ/mol	326.00	NIST
ΔfusH	18.14	kJ/mol	326.05	NIST
ΔfusH	18.05	kJ/mol	326.15	NIST
ΔfusH	18.19	kJ/mol	326.20	NIST
ΔsubH	[53.10; 65.40]	kJ/mol	[275.50; 363.00]
ΔsubH	56.90	kJ/mol	275.50	NIST
ΔsubH	53.10	kJ/mol	285.50	NIST
ΔsubH	64.80 ± 0.80	kJ/mol	302.00	NIST
ΔsubH	64.80 ± 0.40	kJ/mol	303.00	NIST
ΔsubH	63.00 ± 0.40	kJ/mol	318.00	NIST
ΔsubH	65.40	kJ/mol	363.00	NIST
ΔvapH	[44.20; 46.40]	kJ/mol	[326.00; 403.00]
ΔvapH	46.40	kJ/mol	326.00	NIST
ΔvapH	45.00	kJ/mol	394.50	NIST
ΔvapH	44.20	kJ/mol	403.00	NIST
ΔfusS	[55.30; 55.70]	J/mol×K	[326.00; 326.15]
ΔfusS	55.70	J/mol×K	326.00	NIST
ΔfusS	55.60	J/mol×K	326.05	NIST
ΔfusS	55.30	J/mol×K	326.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.87; 223.85]	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			3.61000e+00
Coefficient B			4.49000e-01
Coefficient C			-3.07560e-04
Coefficient D			7.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.87	J/mol×K	273.00	Calculated Property
Cp,gas	127.45	J/mol×K	353.78	Calculated Property
Cp,gas	147.11	J/mol×K	434.56	Calculated Property
Cp,gas	164.10	J/mol×K	515.33	Calculated Property
Cp,gas	178.66	J/mol×K	596.11	Calculated Property
Cp,gas	191.05	J/mol×K	676.89	Calculated Property
Cp,gas	201.52	J/mol×K	757.67	Calculated Property
Cp,gas	210.31	J/mol×K	838.44	Calculated Property
Cp,gas	217.67	J/mol×K	919.22	Calculated Property
Cp,gas	223.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007896; 0.0002525]	Pa×s	[326.18; 472.62]	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			-1.08235e+01
Coefficient B			1.20020e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			326.18
Temperature range, max.			472.62
η	0.0007896	Pa×s	326.18	Calculated Property
η	0.0006629	Pa×s	342.46	Calculated Property
η	0.0005655	Pa×s	358.73	Calculated Property
η	0.0004891	Pa×s	375.00	Calculated Property
η	0.0004281	Pa×s	391.27	Calculated Property
η	0.0003788	Pa×s	407.54	Calculated Property
η	0.0003383	Pa×s	423.81	Calculated Property
η	0.0003047	Pa×s	440.08	Calculated Property
η	0.0002764	Pa×s	456.35	Calculated Property
η	0.0002525	Pa×s	472.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[323.57; 477.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47073e+01
Coefficient B			-4.15642e+03
Coefficient C			-3.53240e+01
Temperature range, min.			323.57
Temperature range, max.			477.69
Pvap	1.33	kPa	323.57	Calculated Property
Pvap	2.99	kPa	340.69	Calculated Property
Pvap	6.17	kPa	357.82	Calculated Property
Pvap	11.81	kPa	374.94	Calculated Property
Pvap	21.25	kPa	392.07	Calculated Property
Pvap	36.23	kPa	409.19	Calculated Property
Pvap	58.96	kPa	426.32	Calculated Property
Pvap	92.11	kPa	443.44	Calculated Property
Pvap	138.80	kPa	460.57	Calculated Property
Pvap	202.64	kPa	477.69	Calculated Property
Pvap	[1.25; 4077.90]	kPa	[326.14; 684.75]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.13197e+01
Coefficient B			-8.43460e+03
Coefficient C			-9.63023e+00
Coefficient D			4.66574e-06
Coefficient E			0.00000e+00
Temperature range, min.			326.14
Temperature range, max.			684.75
Pvap	1.25	kPa	326.14	Calculated Property
Pvap	7.81	kPa	365.99	Calculated Property
Pvap	32.01	kPa	405.83	Calculated Property
Pvap	97.57	kPa	445.68	Calculated Property
Pvap	240.38	kPa	485.52	Calculated Property
Pvap	506.82	kPa	525.37	Calculated Property
Pvap	952.11	kPa	565.21	Calculated Property
Pvap	1640.81	kPa	605.06	Calculated Property
Pvap	2650.32	kPa	644.90	Calculated Property
Pvap	4077.90	kPa	684.75	Calculated Property
Pvap	[2.67; 101.36]	kPa	[341.12; 447.21]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40987e+01
Coefficient B			-3.62682e+03
Coefficient C			-6.46370e+01
Reference			McDonald, Shrader, et al., 1959
Temperature range, min.			341.12
Temperature range, max.			447.21
Pvap	2.67	kPa	341.12	Calculated Property
Pvap	4.56	kPa	352.91	Calculated Property
Pvap	7.48	kPa	364.70	Calculated Property
Pvap	11.81	kPa	376.48	Calculated Property
Pvap	18.03	kPa	388.27	Calculated Property
Pvap	26.74	kPa	400.06	Calculated Property
Pvap	38.59	kPa	411.85	Calculated Property
Pvap	54.38	kPa	423.63	Calculated Property
Pvap	74.98	kPa	435.42	Calculated Property
Pvap	101.36	kPa	447.21	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-dichloro-.

Mixtures

• Benzene, 1,4-dichloro- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Improving the method of solution calorimetry for evaluation of the enthalpies of phase transitions and condensed state enthalpies of formation
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Enthalpies of solution and enthalpies of solvation of chloro- and nitro-substituted benzenes in 1-butyl-3-methyl imidazolium based ionic liquids at 298.15 K: Additivity of group contributions
• Solution and solvation enthalpies of aromatic derivitives in binary mixtures. Dipole moment and dielectric properties
• Low-Temperature Heat Capacities and Derived Thermodynamic Functions of 1,4 Dichlorobenzene, 1,4 Dibromobenzene, 1,3,5 Trichlorobenzene, and 1,3,5 Tribromobenzene
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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