Chemical Properties of Aniline, N-methyl- (CAS 100-61-8)

InChI

InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

InChI Key

AFBPFSWMIHJQDM-UHFFFAOYSA-N

Formula

C7H9N

SMILES

CNc1ccccc1

Molecular Weight¹

107.15

CAS

100-61-8

Other Names

• (Methylamino)benzene
• ANILINOMETHANE
• Benzenamine, N-methyl-
• Benzeneamine, N-methyl-
• Methylaniline
• Methylphenylamine
• Monomethylaniline
• N-METHYLBENZENAMINE
• N-Methylaminobenzene
• N-Methylaniline
• N-Methylphenylamine
• N-Monomethylaniline
• N-Phenylmethylamine
• NSC 3502
• UN 2294
• phenylmethylamine

• 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).
• μ : Dipole Moment (debye).
• 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_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_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	0.4750		KDB
PAff	916.60	kJ/mol	NIST
BasG	890.10	kJ/mol	NIST
ΔcH°liquid	[-4077.00; -4073.00]	kJ/mol
ΔcH°liquid	-4073.00	kJ/mol	NIST
ΔcH°liquid	-4077.00	kJ/mol	NIST
μ	1.70	debye	KDB
ΔfG°	199.30	kJ/mol	KDB
ΔfH°gas	[83.90; 85.41]	kJ/mol
ΔfH°gas	85.41	kJ/mol	KDB
ΔfH°gas	83.90 ± 6.30	kJ/mol	NIST
ΔfH°gas	85.40	kJ/mol	NIST
ΔfH°liquid	[32.00; 33.40]	kJ/mol
ΔfH°liquid	33.40 ± 7.50	kJ/mol	NIST
ΔfH°liquid	32.00	kJ/mol	NIST
ΔfusH°	13.03	kJ/mol	Joback Calculated Property
ΔvapH°	[50.50; 53.40]	kJ/mol
ΔvapH°	50.50 ± 4.20	kJ/mol	NIST
ΔvapH°	50.50	kJ/mol	NIST
ΔvapH°	53.10	kJ/mol	NIST
ΔvapH°	53.40	kJ/mol	NIST
IE	[7.30; 7.73]	eV
IE	7.32 ± 0.02	eV	NIST
IE	7.38 ± 0.05	eV	NIST
IE	7.30	eV	NIST
IE	7.35 ± 0.02	eV	NIST
IE	7.32	eV	NIST
IE	7.30 ± 0.05	eV	NIST
IE	7.34 ± 0.02	eV	NIST
IE	7.53	eV	NIST
IE	Outlier 7.73	eV	NIST
log10WS	[-1.28; -1.28]
log10WS	-1.28		Aq. Solubility Prediction
log10WS	-1.28		Estimated Solubility
logPoct/wat	1.728		Crippen Calculated Property
McVol	95.710	ml/mol	McGowan Calculated Property
Pc	[5197.97; 5200.00]	kPa
Pc	5200.00	kPa	KDB
Pc	5197.97 ± 70.92	kPa	NIST
Inp	[1031.00; 1069.00]
Inp	1040.40		NIST
Inp	1052.20		NIST
Inp	1035.00		NIST
Inp	1056.00		NIST
Inp	1062.00		NIST
Inp	1056.00		NIST
Inp	1069.00		NIST
Inp	1041.00		NIST
Inp	1031.00		NIST
Inp	1041.00		NIST
Inp	1035.00		NIST
Inp	1062.00		NIST
I	[1686.00; 1750.00]
I	1726.60		NIST
I	1747.00		NIST
I	1737.00		NIST
I	1746.00		NIST
I	1750.00		NIST
I	1719.80		NIST
I	1717.90		NIST
I	1746.00		NIST
I	Outlier 1686.00		NIST
I	1711.00		NIST
I	1746.00		NIST
I	1726.60		NIST
I	1719.80		NIST
Tboil	[464.90; 469.40]	K
Tboil	469.40	K	KDB
Tboil	469.40	K	NIST
Tboil	467.15 ± 0.40	K	NIST
Tboil	469.40 ± 0.30	K	NIST
Tboil	469.40 ± 0.25	K	NIST
Tboil	469.40 ± 0.30	K	NIST
Tboil	467.90 ± 0.60	K	NIST
Tboil	469.25 ± 0.30	K	NIST
Tboil	467.05 ± 0.50	K	NIST
Tboil	469.25 ± 0.20	K	NIST
Tboil	Outlier 464.90 ± 1.00	K	NIST
Tboil	468.90 ± 1.00	K	NIST
Tboil	468.65 ± 0.50	K	NIST
Tboil	Outlier 465.15 ± 5.00	K	NIST
Tc	701.00	K	KDB
Tfus	[216.00; 216.00]	K
Tfus	216.00	K	KDB
Tfus	216.00	K	NIST
Vc	0.333	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.91; 239.92]	J/mol×K	[436.41; 651.69]
Cp,gas	177.91	J/mol×K	436.41	Joback Calculated Property
Cp,gas	189.97	J/mol×K	472.29	Joback Calculated Property
Cp,gas	201.30	J/mol×K	508.17	Joback Calculated Property
Cp,gas	211.93	J/mol×K	544.05	Joback Calculated Property
Cp,gas	221.89	J/mol×K	579.93	Joback Calculated Property
Cp,gas	231.21	J/mol×K	615.81	Joback Calculated Property
Cp,gas	239.92	J/mol×K	651.69	Joback Calculated Property
Cp,liquid	[207.10; 230.10]	J/mol×K	[290.00; 323.15]
Cp,liquid	230.10	J/mol×K	290.00	NIST
Cp,liquid	207.10	J/mol×K	298.00	NIST
Cp,liquid	207.12	J/mol×K	298.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
Cp,liquid	207.12	J/mol×K	298.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	210.92	J/mol×K	303.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
Cp,liquid	210.92	J/mol×K	303.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	214.73	J/mol×K	308.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	214.73	J/mol×K	308.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
Cp,liquid	218.53	J/mol×K	313.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
Cp,liquid	218.53	J/mol×K	313.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	222.37	J/mol×K	318.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	222.37	J/mol×K	318.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
Cp,liquid	225.88	J/mol×K	323.15	Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
Cp,liquid	225.88	J/mol×K	323.15	Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
ΔvapH	[45.35; 53.60]	kJ/mol	[389.00; 466.60]
ΔvapH	53.60	kJ/mol	389.00	NIST
ΔvapH	45.35	kJ/mol	466.60	NIST
Pvap	0.07	kPa	298.15	Thermodynamic Properties of Binary Mixtures of Tetrahydropyran with Anilines at 308.15 K
ρl	[961.13; 989.00]	kg/m3	[293.00; 323.15]
ρl	989.00	kg/m3	293.00	KDB
ρl	986.20	kg/m3	293.15	Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl	986.44	kg/m3	293.15	Thermodynamics of Mixtures Containing Amines. XII. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for N-Methylaniline + Hydrocarbon Systems
ρl	982.24	kg/m3	298.15	Thermodynamics of Ketone + Amine Mixtures. Part VIII. Molar Excess Enthalpies at 298.15 K for n-Alkanone + Aniline or + N-Methylaniline Systems
ρl	982.20	kg/m3	298.15	Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl	982.24	kg/m3	298.15	Thermodynamics of mixtures containing amines. XI. Liquid + liquid equilibria and molar excess enthalpies at 298.15 K for N-methylaniline + hydrocarbon systems. Characterization in terms of DISQUAC and ERAS models
ρl	982.49	kg/m3	298.15	Thermodynamics of Mixtures Containing Amines. XII. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for N-Methylaniline + Hydrocarbon Systems
ρl	982.40	kg/m3	298.15	Thermodynamic properties of liquid mixtures containing 1,3-dioxolane and anilines: Excess molar volumes, excess molar enthalpies, excess Gibb's free energy and isentropic compressibilities changes of mixing
ρl	981.72	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	978.54	kg/m3	303.15	Thermodynamics of Mixtures Containing Amines. XII. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for N-Methylaniline + Hydrocarbon Systems
ρl	978.20	kg/m3	303.15	Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl	978.20	kg/m3	303.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	974.20	kg/m3	308.15	Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl	973.53	kg/m3	308.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	976.04	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	969.92	kg/m3	313.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	970.89	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	964.90	kg/m3	318.15	Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
ρl	965.81	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	961.13	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	[1477.00; 1582.50]	m/s	[293.15; 323.15]
csound,fluid	1582.50	m/s	293.15	Thermodynamics of Ketone + Amine Mixtures. Part III. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for 2-Butanone + Aniline, + N-Methylaniline, or + Pyridine Systems
csound,fluid	1563.90	m/s	298.15	Thermodynamics of Ketone + Amine Mixtures. Part III. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for 2-Butanone + Aniline, + N-Methylaniline, or + Pyridine Systems
csound,fluid	1548.00	m/s	303.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1546.00	m/s	303.15	Thermodynamics of Ketone + Amine Mixtures. Part III. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for 2-Butanone + Aniline, + N-Methylaniline, or + Pyridine Systems
csound,fluid	1548.00	m/s	303.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
csound,fluid	1512.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1512.00	m/s	313.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
csound,fluid	1477.00	m/s	323.15	Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
csound,fluid	1477.00	m/s	323.15	Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[349.45; 495.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59126e+01
Coefficient B			-4.83070e+03
Coefficient C			-4.02870e+01
Temperature range, min.			349.45
Temperature range, max.			495.97
Pvap	1.33	kPa	349.45	Calculated Property
Pvap	2.91	kPa	365.73	Calculated Property
Pvap	5.91	kPa	382.01	Calculated Property
Pvap	11.24	kPa	398.29	Calculated Property
Pvap	20.21	kPa	414.57	Calculated Property
Pvap	34.61	kPa	430.85	Calculated Property
Pvap	56.77	kPa	447.13	Calculated Property
Pvap	89.64	kPa	463.41	Calculated Property
Pvap	136.84	kPa	479.69	Calculated Property
Pvap	202.67	kPa	495.97	Calculated Property
Pvap	[9.96e-06; 4869.06]	kPa	[216.15; 701.55]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.91078e+01
Coefficient B			-9.00734e+03
Coefficient C			-9.14371e+00
Coefficient D			4.35509e-06
Temperature range, min.			216.15
Temperature range, max.			701.55
Pvap	9.96e-06	kPa	216.15	Calculated Property
Pvap	5.99e-03	kPa	270.08	Calculated Property
Pvap	0.34	kPa	324.02	Calculated Property
Pvap	5.11	kPa	377.95	Calculated Property
Pvap	35.83	kPa	431.88	Calculated Property
Pvap	153.49	kPa	485.82	Calculated Property
Pvap	475.58	kPa	539.75	Calculated Property
Pvap	1183.16	kPa	593.68	Calculated Property
Pvap	2529.93	kPa	647.62	Calculated Property
Pvap	4869.06	kPa	701.55	Calculated Property

Similar Compounds

Find more compounds similar to Aniline, N-methyl-.

Mixtures

• Aniline, N-methyl- + Benzyl alcohol
• Aniline, N-methyl- + Tetradecane
• Aniline, N-methyl- + Hexadecane
• Aniline, N-methyl- + Heptane
• Aniline, N-methyl- + Octane
• Aniline, N-methyl- + Decane
• Aniline, N-methyl- + Cyclohexane
• Aniline, N-methyl- + Toluene
• Aniline, N-methyl- + Propanoic acid, 2-hydroxy-, ethyl ester
• Aniline, N-methyl- + Tetrahydrofuran
• 1,3-Dioxolane + Aniline, N-methyl-
• Aniline, N-methyl- + 2-Butanone
• Aniline, N-methyl- + Tetrahydropyran
• Aniline, N-methyl- + Diisopropyl ether
• Aniline, N-methyl- + Acetone
• Aniline, N-methyl- + 2-Pentanone
• Aniline, N-methyl- + 2-Heptanone
• Aniline, N-methyl- + o-Toluidine
• Aniline, N-methyl- + Dimethyl Sulfoxide

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Spectroscopic and ultrasonic studies on the molecular interaction of certain aromatic amines with p-chloranil
• 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
• Thermodynamics of mixtures containing amines. XI. Liquid + liquid equilibria and molar excess enthalpies at 298.15 K for N-methylaniline + hydrocarbon systems. Characterization in terms of DISQUAC and ERAS models
• Comparative studies of intermolecular interaction of aromatic amines with ethyl lactate at different temperatures
• Thermodynamic properties and molecular interactions of [Bmim][NTf2]/[Bmim][Pf6] and N-Methylaniline binary systems from T = (298.15 to 323.15) K at 0.1 MPa
• Thermodynamic and acoustic properties of binary mixtures of oxolane with aniline and substituted anilines at 303.15, 313.15 and 323.15 K
• Thermodynamic properties of liquid mixtures containing 1,3-dioxolane and anilines: Excess molar volumes, excess molar enthalpies, excess Gibb's free energy and isentropic compressibilities changes of mixing
• Density, Speed of Sound, and Dynamic Viscosity of 1-Butyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide/1-Butyl-3-methylimidazolium Hexafluorophosphate and N-Methylaniline Binary Systems from T = 298.15 to 323.15 K at 0.1 MPa
• Thermodynamics of Ketone + Amine Mixtures. Part III. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for 2-Butanone + Aniline, + N-Methylaniline, or + Pyridine Systems
• Thermodynamic Properties of Binary Mixtures of Tetrahydropyran with Anilines at 308.15 K
• Thermodynamic and Acoustic Properties of Binary Mixtures of Ethers. 2. Diisopropyl Ether with Arylamines at (303.15, 313.15, and 323.15) K and Application of ERAS Model to Aniline Mixtures with Diisopropyl Ether and Oxolane
• Thermodynamics of Ketone + Amine Mixtures. Part VIII. Molar Excess Enthalpies at 298.15 K for n-Alkanone + Aniline or + N-Methylaniline Systems
• Thermodynamics of Mixtures Containing Amines. XII. Volumetric and Speed of Sound Data at (293.15, 298.15, and 303.15) K for N-Methylaniline + Hydrocarbon Systems
• Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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