Chemical Properties of Benzenamine, N,N-diethyl-3-methyl- (CAS 91-67-8)

InChI

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

InChI Key

CIPVVROJHKLHJI-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCN(CC)c1cccc(C)c1

Molecular Weight¹

163.26

CAS

91-67-8

Other Names

• 1-(Diethylamino)-3-methylbenzene
• 3-(Diethylamino)-1-methylbenzene
• 3-(Diethylamino)toluene
• 3-(N,N-Diethylamino)toluene
• 3-Methyl-N,N-diethylbenzenamine
• N,N-Diethyl-3-methylaniline
• N,N-Diethyl-m-toluidine
• NSC 96629
• m-Methyl(diethylamino)benzene
• m-Methyl-N,N-diethylaniline
• m-Toluidine, N,N-diethyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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.
• 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	0.4736		Relay (1.0) Calculated Property
PAff	964.10	kJ/mol	NIST
BasG	932.20	kJ/mol	NIST
ΔfG°	255.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-0.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
ΔvapH°	61.13	kJ/mol	Relay (1.0) Calculated Property
IE	6.90	eV	NIST
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	2.841		Crippen Calculated Property
McVol	152.070	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1290.10; 1290.10]
Inp	1290.10		NIST
Inp	1290.10		NIST
Tboil	507.02	K	Relay (1.0) Calculated Property
Tc	709.44	K	Relay (1.0) Calculated Property
Tfus	247.06	K	Relay (1.0) Calculated Property
Vc	0.557	m3/kmol	Relay (1.0) Calculated Property

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; 202.65]	kPa	[378.72; 537.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47193e+01
Coefficient B			-4.29023e+03
Coefficient C			-8.14430e+01
Temperature range, min.			378.72
Temperature range, max.			537.47
Pvap	1.33	kPa	378.72	Calculated Property
Pvap	2.99	kPa	396.36	Calculated Property
Pvap	6.16	kPa	414.00	Calculated Property
Pvap	11.80	kPa	431.64	Calculated Property
Pvap	21.24	kPa	449.28	Calculated Property
Pvap	36.22	kPa	466.91	Calculated Property
Pvap	58.94	kPa	484.55	Calculated Property
Pvap	92.08	kPa	502.19	Calculated Property
Pvap	138.79	kPa	519.83	Calculated Property
Pvap	202.65	kPa	537.47	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N,N-diethyl-3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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