Chemical Properties of Benzenamine, 3,4-dimethyl- (CAS 95-64-7)

InChI

InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3

InChI Key

DOLQYFPDPKPQSS-UHFFFAOYSA-N

Formula

C8H11N

SMILES

Cc1ccc(N)cc1C

Molecular Weight¹

121.18

CAS

95-64-7

Other Names

• 1-Amino-3,4-dimethylbenzene
• 3,4-Dimethylaminobenzene
• 3,4-Dimethylaniline
• 3,4-Dimethylbenzenamine
• 3,4-Dimethylbenzeneamine
• 3,4-Dimethylphenylamine
• 3,4-Xylidine
• 3,4-Xylylamine
• 4-Amino-1,2-dimethylbenzene
• 4-Amino-o-xylene
• Aniline, 3,4-dimethyl
• NSC 41800

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ΔfG°	176.08	kJ/mol	Joback Calculated Property
ΔfH°gas	38.93	kJ/mol	Joback Calculated Property
ΔfusH°	14.94	kJ/mol	Joback Calculated Property
ΔvapH°	47.64	kJ/mol	Joback Calculated Property
IE	7.68 ± 0.05	eV	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	1.886		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	[201.78; 1196.00]
Inp	1196.00		NIST
Inp	1173.80		NIST
Inp	1177.70		NIST
Inp	1161.00		NIST
Inp	Outlier 201.78		NIST
Inp	1173.80		NIST
I	1888.90		NIST
Tboil	499.20	K	NIST
Tc	717.26	K	Joback Calculated Property
Tfus	322.10 ± 1.00	K	NIST
Vc	0.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.80; 292.16]	J/mol×K	[491.61; 717.26]
Cp,gas	228.80	J/mol×K	491.61	Joback Calculated Property
Cp,gas	240.98	J/mol×K	529.22	Joback Calculated Property
Cp,gas	252.48	J/mol×K	566.83	Joback Calculated Property
Cp,gas	263.33	J/mol×K	604.43	Joback Calculated Property
Cp,gas	273.54	J/mol×K	642.04	Joback Calculated Property
Cp,gas	283.15	J/mol×K	679.65	Joback Calculated Property
Cp,gas	292.16	J/mol×K	717.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[375.92; 529.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49973e+01
Coefficient B			-4.34598e+03
Coefficient C			-8.04700e+01
Temperature range, min.			375.92
Temperature range, max.			529.17
Pvap	1.33	kPa	375.92	Calculated Property
Pvap	2.97	kPa	392.95	Calculated Property
Pvap	6.10	kPa	409.98	Calculated Property
Pvap	11.66	kPa	427.00	Calculated Property
Pvap	20.98	kPa	444.03	Calculated Property
Pvap	35.81	kPa	461.06	Calculated Property
Pvap	58.39	kPa	478.09	Calculated Property
Pvap	91.47	kPa	495.11	Calculated Property
Pvap	138.31	kPa	512.14	Calculated Property
Pvap	202.67	kPa	529.17	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 3,4-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback 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.