Chemical Properties of N,N,2,4-Tetramethylbenzenamine (CAS 769-53-9)

InChI

InChI=1S/C10H15N/c1-8-5-6-10(11(3)4)9(2)7-8/h5-7H,1-4H3

InChI Key

DZXAIYQRCQALGE-UHFFFAOYSA-N

Formula

C10H15N

SMILES

Cc1ccc(N(C)C)c(C)c1

Molecular Weight¹

149.23

CAS

769-53-9

Other Names

• N,N-Dimethyl-2,4-xylidine

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.4633		Relay (1.0) Calculated Property
ΔfG°	237.25	kJ/mol	Joback Calculated Property
ΔfH°gas	37.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.94	kJ/mol	Joback Calculated Property
ΔvapH°	59.75	kJ/mol	Relay (1.0) Calculated Property
IE	[7.17; 7.79]	eV
IE	7.17	eV	NIST
IE	7.79	eV	NIST
log10WS	-2.64		Relay (1.0) Calculated Property
logPoct/wat	2.369		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
Inp	[1149.60; 1149.60]
Inp	1149.60		NIST
Inp	1149.60		NIST
Ip	1798.10		NIST
Tboil	494.18	K	Relay (1.0) Calculated Property
Tc	701.94	K	Relay (1.0) Calculated Property
Tfus	255.24	K	Relay (1.0) Calculated Property
Vc	0.521	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.97; 448.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.22000e+01
Coefficient B			8.79880e-01
Coefficient C			-5.29920e-04
Coefficient D			1.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.97	J/mol×K	273.00	Calculated Property
Cp,gas	228.11	J/mol×K	353.78	Calculated Property
Cp,gas	270.01	J/mol×K	434.56	Calculated Property
Cp,gas	307.05	J/mol×K	515.33	Calculated Property
Cp,gas	339.61	J/mol×K	596.11	Calculated Property
Cp,gas	368.08	J/mol×K	676.89	Calculated Property
Cp,gas	392.84	J/mol×K	757.67	Calculated Property
Cp,gas	414.26	J/mol×K	838.44	Calculated Property
Cp,gas	432.74	J/mol×K	919.22	Calculated Property
Cp,gas	448.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N,2,4-Tetramethylbenzenamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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