Chemical Properties of m-Chloroaniline (CAS 108-42-9)

InChI

InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

InChI Key

PNPCRKVUWYDDST-UHFFFAOYSA-N

Formula

C6H6ClN

SMILES

Nc1cccc(Cl)c1

Molecular Weight¹

127.57

CAS

108-42-9

Other Names

• 1-Amino-3-chlorobenzene
• 3-CHLORO-BENZENAMINE
• 3-Chlooranilinen
• 3-Chloroaniline
• 3-Chlorobenzenamine
• 3-Chlorophenylamine
• 3-Cloroaniline
• 3-amino-1-chlorobenzene
• 3-chloro-1-aminobenzene
• Aniline, 3-chloro-
• Aniline, m-chloro-
• Azoic diazo component 2, base
• Benzenamine, 3-chloro-
• Benzeneamine, 3-chloro-
• Fast Orange GC Base
• M-AMINOCHLOROBENZENE
• NSC 17581
• Orange GC base
• m-Chloraniline
• m-Chloroaminobenzene
• m-Chlorophenylamine

• 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).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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_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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.4202		Relay (1.0) Calculated Property
PAff	868.10	kJ/mol	NIST
BasG	836.30	kJ/mol	NIST
ΔcH°liquid	[-3362.60; -3221.80]	kJ/mol
ΔcH°liquid	-3221.80 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-3362.60 ± 2.70	kJ/mol	NIST
ΔfG°	156.94	kJ/mol	Joback Calculated Property
ΔfH°gas	57.32	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-20.30	kJ/mol	NIST
ΔfusH°	14.34	kJ/mol	Joback Calculated Property
ΔvapH°	[54.00; 61.10]	kJ/mol
ΔvapH°	61.10 ± 2.80	kJ/mol	NIST
ΔvapH°	60.20 ± 0.10	kJ/mol	NIST
ΔvapH°	54.00 ± 0.20	kJ/mol	NIST
IE	8.10 ± 0.10	eV	NIST
log10WS	[-1.37; -1.37]
log10WS	-1.37		Aq. Solubility Prediction
log10WS	-1.37		Estimated Solubility
logPoct/wat	1.922		Crippen Calculated Property
McVol	93.860	ml/mol	McGowan Calculated Property
Pc	4704.19	kPa	Joback Calculated Property
Inp	[1155.00; 1204.00]
Inp	1204.00		NIST
Inp	1204.00		NIST
Inp	1160.60		NIST
Inp	1201.00		NIST
Inp	1157.00		NIST
Inp	1157.00		NIST
Inp	1157.00		NIST
Inp	1155.00		NIST
Inp	1198.00		NIST
Inp	1156.00		NIST
Inp	1158.00		NIST
Inp	1160.60		NIST
Inp	1157.00		NIST
Inp	1156.00		NIST
Inp	1204.00		NIST
Inp	1201.00		NIST
I	[2110.00; 2140.00]
I	2110.00		NIST
I	2140.00		NIST
I	2110.00		NIST
I	2110.00		NIST
Tboil	[503.15; 509.65]	K
Tboil	503.20	K	NIST
Tboil	503.15 ± 1.50	K	NIST
Tboil	503.70 ± 2.00	K	NIST
Tboil	509.65 ± 1.00	K	NIST
Tc	743.73	K	Relay (1.0) Calculated Property
Tfus	[262.80; 263.15]	K
Tfus	263.02	K	Aq. Solubility Prediction
Tfus	263.15 ± 0.50	K	NIST
Tfus	262.90 ± 0.02	K	NIST
Tfus	262.80 ± 0.50	K	NIST
Vc	0.326	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.54; 218.41]	J/mol×K	[478.30; 716.47]
Cp,gas	171.54	J/mol×K	478.30	Joback Calculated Property
Cp,gas	180.87	J/mol×K	517.99	Joback Calculated Property
Cp,gas	189.55	J/mol×K	557.69	Joback Calculated Property
Cp,gas	197.61	J/mol×K	597.38	Joback Calculated Property
Cp,gas	205.09	J/mol×K	637.08	Joback Calculated Property
Cp,gas	212.01	J/mol×K	676.77	Joback Calculated Property
Cp,gas	218.41	J/mol×K	716.47	Joback Calculated Property
Cp,liquid	[198.70; 213.40]	J/mol×K	[278.51; 349.98]
Cp,liquid	199.90	J/mol×K	278.51	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	200.30	J/mol×K	278.51	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	201.80	J/mol×K	288.72	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	201.50	J/mol×K	288.72	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	198.70	J/mol×K	294.70	NIST
Cp,liquid	204.00	J/mol×K	298.93	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	203.90	J/mol×K	298.93	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	203.50	J/mol×K	298.93	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	205.50	J/mol×K	309.14	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	205.30	J/mol×K	309.14	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	205.20	J/mol×K	309.14	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	207.60	J/mol×K	319.35	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	207.40	J/mol×K	319.35	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	207.40	J/mol×K	319.35	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	209.60	J/mol×K	329.56	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	209.40	J/mol×K	329.56	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	209.40	J/mol×K	329.56	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	211.10	J/mol×K	339.77	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	210.80	J/mol×K	339.77	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	210.90	J/mol×K	339.77	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	213.40	J/mol×K	349.98	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	213.00	J/mol×K	349.98	Heat Capacities of Chloroanilines and Chloronitrobenzenes
Cp,liquid	212.90	J/mol×K	349.98	Heat Capacities of Chloroanilines and Chloronitrobenzenes
ΔfusH	12.00	kJ/mol	263.00	NIST
ΔvapH	[53.60; 61.00]	kJ/mol	[319.00; 485.50]
ΔvapH	60.30 ± 0.60	kJ/mol	319.00	NIST
ΔvapH	61.00 ± 0.80	kJ/mol	323.00	NIST
ΔvapH	53.60	kJ/mol	485.50	NIST
ρl	[1187.41; 1205.75]	kg/m3	[303.15; 323.15]
ρl	1205.75	kg/m3	303.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρl	1205.32	kg/m3	303.15	Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
ρl	1201.14	kg/m3	308.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρl	1200.75	kg/m3	308.15	Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
ρl	1196.56	kg/m3	313.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρl	1196.02	kg/m3	313.15	Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
ρl	1191.98	kg/m3	318.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρl	1191.25	kg/m3	318.15	Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
ρl	1187.41	kg/m3	323.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
csound,fluid	[1452.00; 1517.00]	m/s	[303.15; 323.15]
csound,fluid	1517.00	m/s	303.15	Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K
csound,fluid	1484.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K
csound,fluid	1486.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K
csound,fluid	1452.00	m/s	323.15	Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[374.87; 534.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49069e+01
Coefficient B			-4.45692e+03
Coefficient C			-7.00090e+01
Temperature range, min.			374.87
Temperature range, max.			534.49
Pvap	1.33	kPa	374.87	Calculated Property
Pvap	2.98	kPa	392.61	Calculated Property
Pvap	6.12	kPa	410.34	Calculated Property
Pvap	11.70	kPa	428.08	Calculated Property
Pvap	21.06	kPa	445.81	Calculated Property
Pvap	35.93	kPa	463.55	Calculated Property
Pvap	58.56	kPa	481.28	Calculated Property
Pvap	91.66	kPa	499.02	Calculated Property
Pvap	138.45	kPa	516.75	Calculated Property
Pvap	202.64	kPa	534.49	Calculated Property
Pvap	[2.53e-04; 4571.61]	kPa	[262.75; 751.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.38199e+01
Coefficient B			-1.01999e+04
Coefficient C			-9.60275e+00
Coefficient D			3.14403e-06
Temperature range, min.			262.75
Temperature range, max.			751.00
Pvap	2.53e-04	kPa	262.75	Calculated Property
Pvap	0.04	kPa	317.00	Calculated Property
Pvap	0.96	kPa	371.25	Calculated Property
Pvap	9.87	kPa	425.50	Calculated Property
Pvap	54.72	kPa	479.75	Calculated Property
Pvap	201.62	kPa	534.00	Calculated Property
Pvap	561.27	kPa	588.25	Calculated Property
Pvap	1283.17	kPa	642.50	Calculated Property
Pvap	2548.33	kPa	696.75	Calculated Property
Pvap	4571.61	kPa	751.00	Calculated Property

Similar Compounds

Find more compounds similar to m-Chloroaniline.

Mixtures

• Benzyl alcohol + m-Chloroaniline
• Phenylethyl Alcohol + m-Chloroaniline
• 2-Chloroethanol + m-Chloroaniline
• Monoethanolamine + m-Chloroaniline
• Benzene, bromo- + m-Chloroaniline
• Benzene, chloro- + m-Chloroaniline
• Benzene, nitro- + m-Chloroaniline
• Diisopropyl ether + m-Chloroaniline
• m-Chloroaniline + Tetrahydrofuran

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
• Volumetric, acoustic and spectroscopic properties of 3-chloroaniline with substituted ethanols at various temperatures
• Studies on the importance of nature of substituent on the thermodynamic and transport properties of liquid mixtures at various temperatures
• Thermodynamic and acoustic properties of binary mixtures of ethers. V. Diisopropyl ether or oxolane with 2- or 3-chloroanilines at 303.15, 313.15 and 323.15 K
• Heat Capacities of Chloroanilines and Chloronitrobenzenes
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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