Chemical Properties of N,N-DIETHYL-O-TOLUIDINE (CAS 606-46-2)

InChI

InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3

InChI Key

YQYUUNRAPYPAPC-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCN(CC)c1ccccc1C

Molecular Weight¹

163.26

CAS

606-46-2

Other Names

• 2-(Dimethylamino)toluene
• Benzenamine, n,n-diethyl-2-methyl-
• N,N-Diethyl-2-methylaniline
• N,N-Diethyl-o-toluidinium ion
• o-Toluidine, N,N-diethyl-

• 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).
• P_vap : Vapor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.64; 503.29]	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			-3.74080e+01
Coefficient B			1.03436e+00
Coefficient C			-6.51360e-04
Coefficient D			1.57700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.64	J/mol×K	273.00	Calculated Property
Cp,gas	253.98	J/mol×K	353.78	Calculated Property
Cp,gas	302.02	J/mol×K	434.56	Calculated Property
Cp,gas	344.23	J/mol×K	515.33	Calculated Property
Cp,gas	381.13	J/mol×K	596.11	Calculated Property
Cp,gas	413.21	J/mol×K	676.89	Calculated Property
Cp,gas	440.96	J/mol×K	757.67	Calculated Property
Cp,gas	464.90	J/mol×K	838.44	Calculated Property
Cp,gas	485.51	J/mol×K	919.22	Calculated Property
Cp,gas	503.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[360.72; 544.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31197e+01
Coefficient B			-3.66397e+03
Coefficient C			-7.51880e+01
Temperature range, min.			360.72
Temperature range, max.			544.44
Pvap	1.33	kPa	360.72	Calculated Property
Pvap	3.14	kPa	381.13	Calculated Property
Pvap	6.64	kPa	401.55	Calculated Property
Pvap	12.86	kPa	421.96	Calculated Property
Pvap	23.13	kPa	442.37	Calculated Property
Pvap	39.12	kPa	462.79	Calculated Property
Pvap	62.78	kPa	483.20	Calculated Property
Pvap	96.30	kPa	503.61	Calculated Property
Pvap	142.09	kPa	524.03	Calculated Property
Pvap	202.67	kPa	544.44	Calculated Property

Similar Compounds

Find more compounds similar to N,N-DIETHYL-O-TOLUIDINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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