Chemical Properties of Benzenamine, 2,4-dimethyl- (CAS 95-68-1)

InChI

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

InChI Key

CZZZABOKJQXEBO-UHFFFAOYSA-N

Formula

C8H11N

SMILES

Cc1ccc(N)c(C)c1

Molecular Weight¹

121.18

CAS

95-68-1

Other Names

• 1-AMINO-2,4-DIMETHYLBENZENE
• 2,4-DIMETHYLANILINE
• 2,4-Dimethylbenzenamine
• 2,4-Dimethylbenzeneamine
• 2,4-Dimethylphenylamine
• 2,4-XYLIDINE
• 2,4-Xylylamine
• 2-Methyl-p-toluidine
• 4-Amino-1,3-dimethylbenzene
• 4-Amino-1,3-xylene
• 4-Amino-3-methyltoluene
• 4-Methyl-o-toluidine
• Aniline, 2,4-dimethyl-
• M-XYLIDINE
• NSC 7640
• m-4-Xylidine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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.
• 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	0.4970		KDB
ΔcH°liquid	-4655.50	kJ/mol	NIST
ΔfG°	176.08	kJ/mol	Joback Calculated Property
ΔfH°gas	38.93	kJ/mol	Joback Calculated Property
ΔfH°liquid	-88.70	kJ/mol	NIST
ΔfusH°	14.94	kJ/mol	Joback Calculated Property
ΔvapH°	47.64	kJ/mol	Joback Calculated Property
IE	[7.40; 7.65]	eV
IE	7.40 ± 0.10	eV	NIST
IE	7.65 ± 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	4000.00	kPa	KDB
Inp	[196.10; 1167.01]
Inp	1167.01		NIST
Inp	1145.70		NIST
Inp	1160.70		NIST
Inp	1123.10		NIST
Inp	1137.70		NIST
Inp	1167.00		NIST
Inp	1131.00		NIST
Inp	1136.00		NIST
Inp	Outlier 196.10		NIST
Inp	Outlier 196.10		NIST
Inp	1123.10		NIST
I	[1960.00; 1976.00]
I	1960.00		NIST
I	1976.00		NIST
I	1960.00		NIST
Tboil	[487.45; 491.20]	K
Tboil	490.27	K	KDB
Tboil	491.20	K	NIST
Tboil	487.45 ± 0.50	K	NIST
Tc	714.00	K	KDB
Tfus	[257.25; 289.00]	K
Tfus	Outlier 289.00	K	KDB
Tfus	257.25 ± 1.00	K	NIST
Tfus	259.35 ± 0.35	K	NIST
Tfus	259.32 ± 0.80	K	NIST
Tfus	261.05 ± 0.30	K	NIST
Tfus	258.90 ± 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]
T(K) Ideal gas heat capacity (J/mol×K) 230 240 250 260 270 280 290 500 600 700
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
ΔvapH	[55.50; 61.30]	kJ/mol	[317.00; 434.00]
ΔvapH	61.30 ± 0.60	kJ/mol	317.00	NIST
ΔvapH	56.90	kJ/mol	405.50	NIST
ΔvapH	55.50	kJ/mol	434.00	NIST
ρl	969.46	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[364.72; 522.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44845e+01
Coefficient B			-4.09072e+03
Coefficient C			-7.65780e+01
Temperature range, min.			364.72
Temperature range, max.			522.53
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500
Pvap	1.33	kPa	364.72	Calculated Property
Pvap	3.01	kPa	382.25	Calculated Property
Pvap	6.22	kPa	399.79	Calculated Property
Pvap	11.93	kPa	417.32	Calculated Property
Pvap	21.47	kPa	434.86	Calculated Property
Pvap	36.58	kPa	452.39	Calculated Property
Pvap	59.43	kPa	469.93	Calculated Property
Pvap	92.62	kPa	487.46	Calculated Property
Pvap	139.22	kPa	505.00	Calculated Property
Pvap	202.65	kPa	522.53	Calculated Property
Pvap	[0.01; 65.58]	kPa	[294.15; 473.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.53270e+02
Coefficient B			-1.27469e+04
Coefficient C			-2.03281e+01
Coefficient D			1.36820e-05
Temperature range, min.			294.15
Temperature range, max.			473.15
T(K) Vapor pressure (kPa) 0 10 20 30 40 50 60 70 300 350 400 450
Pvap	0.01	kPa	294.15	Calculated Property
Pvap	0.06	kPa	314.04	Calculated Property
Pvap	0.22	kPa	333.93	Calculated Property
Pvap	0.71	kPa	353.82	Calculated Property
Pvap	1.93	kPa	373.71	Calculated Property
Pvap	4.65	kPa	393.59	Calculated Property
Pvap	10.09	kPa	413.48	Calculated Property
Pvap	20.13	kPa	433.37	Calculated Property
Pvap	37.41	kPa	453.26	Calculated Property
Pvap	65.58	kPa	473.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 2,4-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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