Chemical Properties of o-Toluidine (CAS 95-53-4)

InChI

InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

InChI Key

RNVCVTLRINQCPJ-UHFFFAOYSA-N

Formula

C7H9N

SMILES

Cc1ccccc1N

Molecular Weight¹

107.15

CAS

95-53-4

Other Names

• (2-methylphenyl)amine
• 1-Amino-2-methylbenzene
• 1-Methyl-2-aminobenzene
• 2-Amino-1-methylbenzene
• 2-Aminotoluene
• 2-Methyl-1-aminobenzene
• 2-Methylaniline
• 2-Methylbenzenamine
• 2-Toluidine
• 2-methylphenylamine
• Aniline, 2-methyl-
• Benzenamine, 2-methyl-
• C.I. 37077
• NSC 15348
• Rcra waste number U328
• o-Aminotoluene
• o-Methylaniline
• o-Methylbenzenamine
• o-Toluide
• o-Toluidin
• o-Toluidyna
• o-Tolylamine
• ortho-aminotoluene
• ortho-methylaniline
• ortho-methylbenzenamine
• ortho-toluidine
• ortho-tolylamine

• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• 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
PAff	890.90	kJ/mol	NIST
BasG	859.10	kJ/mol	NIST
ΔcH°liquid	[-4064.00; -4034.00]	kJ/mol
ΔcH°liquid	-4036.09 ± 0.88	kJ/mol	NIST
ΔcH°liquid	-4034.00	kJ/mol	NIST
ΔcH°liquid	-4064.00	kJ/mol	NIST
ΔfG°	177.29	kJ/mol	Joback Calculated Property
ΔfH°gas	[51.40; 54.80]	kJ/mol
ΔfH°gas	53.20 ± 0.50	kJ/mol	NIST
ΔfH°gas	54.80	kJ/mol	NIST
ΔfH°gas	51.40	kJ/mol	NIST
ΔfH°liquid	[-6.49; -4.72]	kJ/mol
ΔfH°liquid	-4.72 ± 0.96	kJ/mol	NIST
ΔfH°liquid	-6.49	kJ/mol	NIST
ΔfusH°	12.73	kJ/mol	Joback Calculated Property
ΔvapH°	[44.10; 63.10]	kJ/mol
ΔvapH°	57.30 ± 0.20	kJ/mol	NIST
ΔvapH°	57.90 ± 0.24	kJ/mol	NIST
ΔvapH°	57.90	kJ/mol	NIST
ΔvapH°	62.70 ± 0.50	kJ/mol	NIST
ΔvapH°	Outlier 44.10	kJ/mol	NIST
ΔvapH°	63.10	kJ/mol	NIST
ΔvapH°	56.20	kJ/mol	NIST
IE	[7.44; 7.84]	eV
IE	7.47 ± 0.04	eV	NIST
IE	7.58	eV	NIST
IE	7.45 ± 0.02	eV	NIST
IE	7.52	eV	NIST
IE	7.44 ± 0.02	eV	NIST
IE	7.60 ± 0.10	eV	NIST
IE	7.70 ± 0.10	eV	NIST
IE	7.69	eV	NIST
IE	7.75	eV	NIST
IE	7.84	eV	NIST
IE	7.83	eV	NIST
IE	7.83	eV	NIST
log10WS	[-2.21; -0.85]
log10WS	-0.85		Aq. Sol...
log10WS	-2.21		Estimat...
logPoct/wat	1.577		Crippen Calculated Property
McVol	95.710	ml/mol	McGowan Calculated Property
Pc	3749.02 ± 253.31	kPa	NIST
Inp	[176.52; 1072.00]
Inp	1032.70		NIST
Inp	1040.50		NIST
Inp	1068.00		NIST
Inp	1072.00		NIST
Inp	1068.00		NIST
Inp	1068.00		NIST
Inp	1053.90		NIST
Inp	1053.90		NIST
Inp	1037.00		NIST
Inp	176.52		NIST
Inp	177.86		NIST
Inp	176.65		NIST
Inp	1068.00		NIST
Inp	1053.90		NIST
Inp	1032.70		NIST
Inp	176.52		NIST
I	[1789.00; 1814.00]
I	1796.00		NIST
I	1807.00		NIST
I	1808.00		NIST
I	1814.00		NIST
I	1789.00		NIST
I	1800.00		NIST
I	1789.00		NIST
I	1796.00		NIST
Tboil	[469.70; 473.85]	K
Tboil	473.40	K	NIST
Tboil	473.35 ± 0.50	K	NIST
Tboil	473.35 ± 0.30	K	NIST
Tboil	470.40 ± 0.50	K	NIST
Tboil	473.45 ± 0.07	K	NIST
Tboil	473.50 ± 0.30	K	NIST
Tboil	473.55 ± 0.30	K	NIST
Tboil	472.45 ± 0.60	K	NIST
Tboil	473.45 ± 0.30	K	NIST
Tboil	472.99 ± 0.20	K	NIST
Tboil	473.30 ± 0.50	K	NIST
Tboil	472.85 ± 0.50	K	NIST
Tboil	471.35 ± 0.30	K	NIST
Tboil	473.85 ± 0.20	K	NIST
Tboil	Outlier 469.70 ± 1.00	K	NIST
Tboil	472.65 ± 0.60	K	NIST
Tc	694.15 ± 2.00	K	NIST
Tfus	[245.50; 257.70]	K
Tfus	253.55	K	Aq. Sol...
Tfus	250.00 ± 0.20	K	NIST
Tfus	249.50 ± 0.02	K	NIST
Tfus	257.70 ± 0.60	K	NIST
Tfus	256.75 ± 0.50	K	NIST
Tfus	249.47 ± 0.05	K	NIST
Tfus	256.75 ± 0.30	K	NIST
Tfus	245.50 ± 0.40	K	NIST
Tfus	256.90 ± 0.30	K	NIST
Tfus	248.75 ± 0.30	K	NIST
Tfus	248.75 ± 0.20	K	NIST
Ttriple	258.73 ± 0.01	K	NIST
Vc	0.348	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.04; 246.42]	J/mol×K	[463.75; 691.81]
Cp,gas	188.04	J/mol×K	463.75	Joback Calculated Property
Cp,gas	199.40	J/mol×K	501.76	Joback Calculated Property
Cp,gas	210.07	J/mol×K	539.77	Joback Calculated Property
Cp,gas	220.08	J/mol×K	577.78	Joback Calculated Property
Cp,gas	229.46	J/mol×K	615.79	Joback Calculated Property
Cp,gas	238.23	J/mol×K	653.80	Joback Calculated Property
Cp,gas	246.42	J/mol×K	691.81	Joback Calculated Property
Cp,liquid	[164.40; 211.30]	J/mol×K	[288.00; 303.15]
Cp,liquid	201.70	J/mol×K	288.00	NIST
Cp,liquid	211.30	J/mol×K	298.00	NIST
Cp,liquid	209.60	J/mol×K	302.50	NIST
Cp,liquid	209.60	J/mol×K	302.50	NIST
Cp,liquid	164.40	J/mol×K	303.15	NIST
ΔfusH	[8.08; 11.66]	kJ/mol	[249.55; 287.60]
ΔfusH	8.10	kJ/mol	249.55	NIST
ΔfusH	8.08	kJ/mol	249.60	NIST
ΔfusH	11.66	kJ/mol	287.60	NIST
ΔfusH	11.66	kJ/mol	287.60	NIST
ΔvapH	[42.70; 57.80]	kJ/mol	[403.50; 432.50]
ΔvapH	57.80	kJ/mol	403.50	NIST
ΔvapH	54.50	kJ/mol	403.50	NIST
ΔvapH	51.50	kJ/mol	403.50	NIST
ΔvapH	48.60	kJ/mol	403.50	NIST
ΔvapH	45.70	kJ/mol	403.50	NIST
ΔvapH	42.70	kJ/mol	403.50	NIST
ΔvapH	50.00	kJ/mol	432.50	NIST
Pvap	0.04	kPa	298.15	Thermod...
ρl	[986.06; 998.43]	kg/m3	[293.15; 308.15]
ρl	998.43	kg/m3	293.15	Thermod...
ρl	998.40	kg/m3	293.15	Excess ...
ρl	994.28	kg/m3	298.15	Molar E...
ρl	994.28	kg/m3	298.15	Topolog...
ρl	994.20	kg/m3	298.15	Thermod...
ρl	994.35	kg/m3	298.15	Thermod...
ρl	994.36	kg/m3	298.15	Thermod...
ρl	994.34	kg/m3	298.15	Thermod...
ρl	994.28	kg/m3	298.15	Molar E...
ρl	994.35	kg/m3	298.15	Thermod...
ρl	994.40	kg/m3	298.15	Excess ...
ρl	990.20	kg/m3	303.15	Excess ...
ρl	990.23	kg/m3	303.15	Thermod...
ρl	986.10	kg/m3	308.15	Excess ...
ρl	986.06	kg/m3	308.15	Thermod...
ΔfusS	32.00	J/mol×K	249.55	NIST
csound,fluid	[1501.00; 1602.60]	m/s	[298.15; 323.15]
csound,fluid	1602.60	m/s	298.15	Topolog...
csound,fluid	1579.00	m/s	303.15	Thermod...
csound,fluid	1577.80	m/s	303.15	Topolog...
csound,fluid	1558.38	m/s	308.15	Topolog...
csound,fluid	1558.40	m/s	308.15	Topolog...
csound,fluid	1539.00	m/s	313.15	Thermod...
csound,fluid	1501.00	m/s	323.15	Thermod...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.25e-04; 3812.83]	kPa	[249.47; 694.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.43007e+02
Coefficient B			-1.23010e+04
Coefficient C			-1.86082e+01
Coefficient D			9.77089e-06
Temperature range, min.			249.47
Temperature range, max.			694.15
Pvap	2.25e-04	kPa	249.47	Calculated Property
Pvap	0.04	kPa	298.88	Calculated Property
Pvap	0.96	kPa	348.29	Calculated Property
Pvap	9.38	kPa	397.70	Calculated Property
Pvap	48.68	kPa	447.11	Calculated Property
Pvap	168.72	kPa	496.51	Calculated Property
Pvap	449.65	kPa	545.92	Calculated Property
Pvap	1009.54	kPa	595.33	Calculated Property
Pvap	2029.90	kPa	644.74	Calculated Property
Pvap	3812.83	kPa	694.15	Calculated Property

Similar Compounds

Find more compounds similar to o-Toluidine.

Mixtures

• o-Toluidine + Heptane
• Octane + o-Toluidine
• o-Toluidine + Nonane
• Decane + o-Toluidine
• Dodecane + o-Toluidine
• Pyridine + o-Toluidine
• Pyridine, 2-methyl- + o-Toluidine
• o-Toluidine + Pyridine, 3-methyl-
• Pyridine, 4-methyl- + o-Toluidine
• Tetrahydropyran + Pyridine, 2-methyl- + o-Toluidine
• Tetrahydropyran + o-Toluidine + Pyridine, 3-methyl-
• Pyridine, 4-methyl- + Tetrahydropyran + o-Toluidine
• o-Toluidine + Cyclohexane
• n-Hexane + o-Toluidine
• 1,3-Dioxolane + o-Toluidine
• Diisopropyl ether + o-Toluidine
• o-Toluidine + Tetrahydrofuran
• Tetrahydropyran + o-Toluidine
• o-Toluidine + Formamide, N-methyl-
• Aniline + o-Toluidine

Find more mixtures with o-Toluidine.

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Thermodynamics of mixtures containing amines VI. Liquid liquid equilibria for mixtures of o-toluidine + selected alkanes
• Spectroscopic and ultrasonic studies on the molecular interaction of certain aromatic amines with p-chloranil
• Thermodynamic studies of molecular interactions in mixtures of o-toulidine with pyridine and picolines: Excess molar volumes, excess molar enthalpies, and excess isentropic compressibilities
• Thermodynamic and topological investigations of ternary mixtures with o-toluidine, tetrahydropyran, and picolines: Excess molar volume and excess isentropic compressibility
• Molecular interactions in binary mixtures containing o-toluidine
• Topological and thermodynamic investigations of molecular interactions of aniline and o-toluidine with chloroform
• Topological and thermodynamic investigations of binary mixtures: Molar excess volumes, molar excess enthalpies and isentropic compressibility changes of mixing
• 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
• Thermodynamic and acoustic properties of binary mixtures of ethers. III. Diisopropyl ether or oxolane with o- or m-toluidines at 303.15, 313.15 and 323.15 K
• Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide
• Excess Molar Enthalpies for Binary and Ternary Mixtures containing Cyclic Ether, 2-Methylaniline and Aromatic Hydrocarbons
• Excess molar enthalpies of ternary mixtures containing o-toluidine + tetrahydropyran with pyridine or isomeric picolines or benzene or toluene at 308.15K
• Excess molar enthalpies of ternary mixtures containing1-ethyl-3-methylimidazolium tetrafluoroborate and organic solvents
• Thermodynamic Properties of Binary Mixtures of Tetrahydropyran with Anilines at 308.15 K
• Thermodynamic Properties of Ternary Mixtures Containing Ionic Liquid and Organic Liquids: Excess Molar Volume and Excess Isentropic Compressibility
• Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
• Molar Excess Volumes and Excess Isentropic Compressibilities of Ternary Mixtures of o-Toluidine
• Molar Excess Volumes and Excess Isentropic Compressibilities of {2-Methylaniline (i) + Benzene (j) + Methylbenzene}, {2-Methylaniline (i) + Benzene (j) + 1,2-Dimethylbenzene (k)}, and {2-Methylaniline (i) + Benzene (j) + 1,4-Dimethylbenzene (k)} at T = 308.15 K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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