Chemical Properties of Benzene, 1,3-dichloro- (CAS 541-73-1)

InChI

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

InChI Key

ZPQOPVIELGIULI-UHFFFAOYSA-N

Formula

C6H4Cl2

SMILES

Clc1cccc(Cl)c1

Molecular Weight¹

147.00

CAS

541-73-1

Other Names

• 1,3-DICHLOROBENZENE
• Benzene, m-dichloro-
• Metadichlorobenzene
• Rcra waste number U071
• m-Dichlorobenzene
• m-Dichlorobenzol
• m-Phenylene dichloride

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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).
• 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°_liquid : Liquid phase 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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.3027		Relay (1.0) Calculated Property
ΔcH°liquid	[-2960.30; -2952.00]	kJ/mol
ΔcH°liquid	-2960.30	kJ/mol	NIST
ΔcH°liquid	-2955.76 ± 0.96	kJ/mol	NIST
ΔcH°liquid	-2952.00 ± 8.00	kJ/mol	NIST
ΔfG°	78.56	kJ/mol	Joback Calculated Property
ΔfH°gas	28.10	kJ/mol	NIST
ΔfH°liquid	-20.50 ± 0.96	kJ/mol	NIST
ΔfH°(+) ion	903.30	kJ/mol	NIST
ΔfH(+) ion,0K	915.90	kJ/mol	NIST
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔvapH°	[47.00; 53.90]	kJ/mol
ΔvapH°	53.90	kJ/mol	NIST
ΔvapH°	47.00	kJ/mol	NIST
IE	[9.10; 9.28]	eV
IE	9.10 ± 0.02	eV	NIST
IE	9.10 ± 0.02	eV	NIST
IE	9.14 ± 0.03	eV	NIST
IE	9.26	eV	NIST
IE	9.12 ± 0.02	eV	NIST
IE	9.11 ± 0.01	eV	NIST
IE	9.12 ± 0.01	eV	NIST
IE	9.28	eV	NIST
IE	9.15	eV	NIST
log10WS	[-3.05; -3.04]
log10WS	-3.05		Aq. Solubility Prediction
log10WS	-3.04		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	[160.40; 1058.00]
Inp	1017.40		NIST
Inp	1020.06		NIST
Inp	1027.05		NIST
Inp	1027.35		NIST
Inp	1013.80		NIST
Inp	1022.50		NIST
Inp	1022.50		NIST
Inp	1036.20		NIST
Inp	1009.00		NIST
Inp	1024.65		NIST
Inp	1004.07		NIST
Inp	1013.30		NIST
Inp	985.00		NIST
Inp	964.00		NIST
Inp	1016.00		NIST
Inp	964.00		NIST
Inp	1013.00		NIST
Inp	1016.00		NIST
Inp	1058.00		NIST
Inp	1000.00		NIST
Inp	997.00		NIST
Inp	1022.00		NIST
Inp	1014.97		NIST
Inp	1015.34		NIST
Inp	1017.77		NIST
Inp	1018.92		NIST
Inp	975.40		NIST
Inp	1020.90		NIST
Inp	986.21		NIST
Inp	985.10		NIST
Inp	1002.37		NIST
Inp	997.98		NIST
Inp	999.87		NIST
Inp	1014.00		NIST
Inp	1002.00		NIST
Inp	990.00		NIST
Inp	985.00		NIST
Inp	982.00		NIST
Inp	1025.00		NIST
Inp	1004.00		NIST
Inp	997.00		NIST
Inp	1007.00		NIST
Inp	1005.00		NIST
Inp	1002.00		NIST
Inp	1011.00		NIST
Inp	1014.00		NIST
Inp	1022.00		NIST
Inp	964.00		NIST
Inp	988.00		NIST
Inp	1005.00		NIST
Inp	1047.00		NIST
Inp	986.00		NIST
Inp	982.00		NIST
Inp	1045.00		NIST
Inp	1021.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	982.00		NIST
Inp	Outlier 162.00		NIST
Inp	Outlier 160.40		NIST
Inp	1025.00		NIST
Inp	1004.00		NIST
Inp	1017.40		NIST
Inp	1022.50		NIST
Inp	1004.07		NIST
Inp	964.00		NIST
Inp	1000.00		NIST
Inp	1007.00		NIST
Inp	Outlier 162.00		NIST
Inp	1022.00		NIST
Inp	975.40		NIST
Inp	997.98		NIST
Inp	985.00		NIST
Inp	1011.00		NIST
Inp	1005.00		NIST
Inp	1021.00		NIST
I	[1409.00; 1477.00]
I	1455.40		NIST
I	1474.10		NIST
I	1415.00		NIST
I	1415.00		NIST
I	1434.00		NIST
I	1409.00		NIST
I	1414.00		NIST
I	1445.33		NIST
I	1438.32		NIST
I	1417.70		NIST
I	1446.00		NIST
I	1451.00		NIST
I	1453.00		NIST
I	1477.00		NIST
I	1418.00		NIST
I	1409.00		NIST
I	1455.40		NIST
I	1445.33		NIST
I	1453.00		NIST
I	1477.00		NIST
I	1418.00		NIST
Tboil	[446.15; 446.20]	K
Tboil	446.15	K	KDB
Tboil	446.15	K	Excess molar volumes of ternary mixtures of 1,3-dichlorobenzene and methyl ethyl ketone with 1-alkanols at 303.15K
Tboil	446.20	K	NIST
Tboil	446.15 ± 0.07	K	NIST
Tc	670.01	K	Relay (1.0) Calculated Property
Tfus	[246.90; 249.00]	K
Tfus	248.39	K	KDB
Tfus	248.25	K	Aq. Solubility Prediction
Tfus	248.39 ± 0.05	K	NIST
Tfus	249.00 ± 2.00	K	NIST
Tfus	Outlier 246.90 ± 0.20	K	NIST
Tfus	248.75 ± 0.50	K	NIST
Vc	0.353	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.05; 190.77]	J/mol×K	[443.20; 674.86]
Cp,gas	149.05	J/mol×K	443.20	Joback Calculated Property
Cp,gas	157.36	J/mol×K	481.81	Joback Calculated Property
Cp,gas	165.09	J/mol×K	520.42	Joback Calculated Property
Cp,gas	172.26	J/mol×K	559.03	Joback Calculated Property
Cp,gas	178.92	J/mol×K	597.64	Joback Calculated Property
Cp,gas	185.08	J/mol×K	636.25	Joback Calculated Property
Cp,gas	190.77	J/mol×K	674.86	Joback Calculated Property
Cp,liquid	[167.15; 183.20]	J/mol×K	[283.15; 353.15]
Cp,liquid	167.15	J/mol×K	283.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	167.54	J/mol×K	285.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	167.93	J/mol×K	287.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	168.32	J/mol×K	289.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	168.72	J/mol×K	291.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	169.13	J/mol×K	293.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	169.55	J/mol×K	295.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	169.97	J/mol×K	297.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	170.90	J/mol×K	298.15	NIST
Cp,liquid	170.39	J/mol×K	299.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	170.82	J/mol×K	301.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	171.25	J/mol×K	303.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	171.69	J/mol×K	305.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	172.14	J/mol×K	307.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	172.58	J/mol×K	309.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.04	J/mol×K	311.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.49	J/mol×K	313.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	173.95	J/mol×K	315.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	174.41	J/mol×K	317.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	174.88	J/mol×K	319.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	175.35	J/mol×K	321.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	175.83	J/mol×K	323.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	176.30	J/mol×K	325.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	176.78	J/mol×K	327.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.26	J/mol×K	329.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	177.75	J/mol×K	331.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.24	J/mol×K	333.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	178.73	J/mol×K	335.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.22	J/mol×K	337.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	179.71	J/mol×K	339.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.20	J/mol×K	341.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	180.70	J/mol×K	343.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.20	J/mol×K	345.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	181.70	J/mol×K	347.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.20	J/mol×K	349.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	182.70	J/mol×K	351.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
Cp,liquid	183.20	J/mol×K	353.15	Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
η	[0.0002989; 0.0021588]	Pa×s	[256.16; 443.20]
η	0.0021588	Pa×s	256.16	Joback Calculated Property
η	0.0012985	Pa×s	287.33	Joback Calculated Property
η	0.0008628	Pa×s	318.51	Joback Calculated Property
η	0.0006166	Pa×s	349.68	Joback Calculated Property
η	0.0004656	Pa×s	380.85	Joback Calculated Property
η	0.0003668	Pa×s	412.03	Joback Calculated Property
η	0.0002989	Pa×s	443.20	Joback Calculated Property
ΔfusH	[12.59; 12.64]	kJ/mol	[248.30; 248.75]
ΔfusH	12.60	kJ/mol	248.30	NIST
ΔfusH	12.64	kJ/mol	248.40	NIST
ΔfusH	12.64	kJ/mol	248.40	NIST
ΔfusH	12.59	kJ/mol	248.75	NIST
ΔvapH	[44.10; 50.40]	kJ/mol	[248.00; 430.50]
ΔvapH	50.40	kJ/mol	248.00	NIST
ΔvapH	50.00	kJ/mol	262.00	NIST
ΔvapH	44.10	kJ/mol	402.50	NIST
ΔvapH	44.70	kJ/mol	430.50	NIST
n0	[1.53800; 1.54400]		[298.15; 308.15]
n0	1.54400		298.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0	1.54320		298.15	Liquid-Liquid Equilibria for Mixtures of (Furfural + a Chlorinated Aromatic Compound + an Alkane) at T = 298.15 K
n0	1.54100		303.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
n0	1.53800		308.15	Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
ρl	[1277.16; 1282.87]	kg/m3	[298.15; 303.15]
ρl	1282.87	kg/m3	298.15	Experimental and predicted data of excess molar enthalpies and excess molar volumes for the ternary system (1,3-dichlorobenzene + benzene + 1-chlorohexane) at T = 298.15 K
ρl	1277.16	kg/m3	303.15	Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
ΔfusS	50.60	J/mol×K	248.75	NIST

Datasets

Viscosity, Pa*s

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Viscosity, Pa*s - Liquid
101.00	303.15	0.0010
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[324.41; 476.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45419e+01
Coefficient B			-3.97801e+03
Coefficient C			-4.53350e+01
Temperature range, min.			324.41
Temperature range, max.			476.30
Pvap	1.33	kPa	324.41	Calculated Property
Pvap	3.01	kPa	341.29	Calculated Property
Pvap	6.21	kPa	358.16	Calculated Property
Pvap	11.90	kPa	375.04	Calculated Property
Pvap	21.41	kPa	391.92	Calculated Property
Pvap	36.49	kPa	408.79	Calculated Property
Pvap	59.30	kPa	425.67	Calculated Property
Pvap	92.49	kPa	442.55	Calculated Property
Pvap	139.10	kPa	459.42	Calculated Property
Pvap	202.64	kPa	476.30	Calculated Property
Pvap	[6.34e-03; 4015.15]	kPa	[248.39; 683.95]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.72737e+01
Coefficient B			-7.22933e+03
Coefficient C			-6.05176e+00
Coefficient D			2.34995e-06
Temperature range, min.			248.39
Temperature range, max.			683.95
Pvap	6.34e-03	kPa	248.39	Calculated Property
Pvap	0.26	kPa	296.79	Calculated Property
Pvap	3.47	kPa	345.18	Calculated Property
Pvap	22.39	kPa	393.58	Calculated Property
Pvap	91.20	kPa	441.97	Calculated Property
Pvap	271.65	kPa	490.37	Calculated Property
Pvap	649.53	kPa	538.76	Calculated Property
Pvap	1325.74	kPa	587.16	Calculated Property
Pvap	2409.12	kPa	635.55	Calculated Property
Pvap	4015.15	kPa	683.95	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-dichloro-.

Mixtures

• 2-Butanone + Benzene, 1,3-dichloro-
• 1-Propanol + 2-Butanone + Benzene, 1,3-dichloro-
• 2-Butanone + 1-Butanol + Benzene, 1,3-dichloro-
• 2-Butanone + Benzene, 1,3-dichloro- + 1-Pentanol
• 2-Butanone + Benzene, 1,3-dichloro- + 1-Hexanol
• N,N-Dimethylacetamide + Benzene, 1,3-dichloro-
• Benzene, 1,3-dichloro- + Dimethyl Sulfoxide
• Benzene + Benzene, 1,3-dichloro- + Hexane, 1-chloro-
• Benzene, 1,3-dichloro- + Pentane, 2,2,4-trimethyl-
• Cyclooctane + Benzene, 1,3-dichloro-
• Octane + Benzene, 1,3-dichloro-
• n-Hexane + Furfural + Benzene, 1,3-dichloro-
• Furfural + Hexadecane + Benzene, 1,3-dichloro-
• Benzene, 1,3-dichloro- + Tetrahydrofuran
• Benzene + n-Hexane + Benzene, 1,3-dichloro-
• Benzene, 1,3-dichloro- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes
• Excess molar volumes of ternary mixtures of 1,3-dichlorobenzene and methyl ethyl ketone with 1-alkanols at 303.15K
• Densities and ultrasonic studies for binary mixtures of tetrahydrofuran with chlorobenzenes, chlorotoluenes and nitrotoluenes at 298.15 K
• Effect of various substituents on benzene ring and their impact on volumetric, acoustic and transport properties of binary liquid mixtures with dimethylacetamide
• Volumetric, ultrasonic and viscometric studies of binary mixtures of dimethyl sulphoxide with chloro and nitro substituted aromatic hydrocarbons at T = 303.15 K
• Experimental and predicted data of excess molar enthalpies and excess molar volumes for the ternary system (1,3-dichlorobenzene + benzene + 1-chlorohexane) at T = 298.15 K
• The Critical Temperatures of a Number of (i) (Chloroalkane (C3 C4) + Hydrocarbon (C6 C7)) Binary Mixtures and (ii) (Aromatic Halocarbon (Chlorobenzene, Fluorobenzene, 1,2-Dichlorobenzene, or 1,3-Dichlorobenzene) + Alkane (C8)) Binary Mixtures
• Liquid-Liquid Equilibria for Mixtures of (Furfural + a Chlorinated Aromatic Compound + an Alkane) at T = 298.15 K
• Measurement and Prediction of Excess Molar Enthalpies and Excess Molar Volumes of the Ternary System 1,3-dichlorobenzene + Benzene + Hexane at 298.15 K.
• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.