Chemical Properties of Benzenamine, N,N-diethyl-4-methyl- (CAS 613-48-9)

InChI

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

InChI Key

HKJNHYJTVPWVGV-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCN(CC)c1ccc(C)cc1

Molecular Weight¹

163.26

CAS

613-48-9

Other Names

• 4-(Diethylamino)toluene
• 4-Methyl-N,N-diethylbenzenamine
• N,N-Diethyl-4-methylaniline
• N,N-Diethyl-4-toluidine
• N,N-Diethyl-p-toluidine
• p-Methyl-N,N-diethylaniline
• p-Toluidine, N,N-diethyl-

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
PAff	962.80	kJ/mol	NIST
BasG	931.00	kJ/mol	NIST
ΔfG°	255.30	kJ/mol	Joback Calculated Property
ΔfH°gas	22.22	kJ/mol	Joback Calculated Property
ΔfusH°	20.92	kJ/mol	Joback Calculated Property
ΔvapH°	45.06	kJ/mol	Joback Calculated Property
IE	[6.81; 6.93]	eV
IE	6.84	eV	NIST
IE	6.81 ± 0.05	eV	NIST
IE	6.93	eV	NIST
log10WS	-2.69		Crippen 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	[1342.70; 1343.20]
Inp	1342.70		NIST
Inp	1343.20		NIST
Inp	1342.70		NIST
I	[1708.70; 1709.30]
I	1708.70		NIST
I	1708.70		NIST
I	1709.30		NIST
I	1708.70		NIST
Tboil	495.18	K	Joback Calculated Property
Tc	695.71	K	Joback Calculated Property
Tfus	285.14	K	Joback Calculated Property
Vc	0.561	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.22; 420.04]	J/mol×K	[495.18; 695.71]
Cp,gas	334.22	J/mol×K	495.18	Joback Calculated Property
Cp,gas	350.65	J/mol×K	528.60	Joback Calculated Property
Cp,gas	366.18	J/mol×K	562.02	Joback Calculated Property
Cp,gas	380.85	J/mol×K	595.44	Joback Calculated Property
Cp,gas	394.69	J/mol×K	628.86	Joback Calculated Property
Cp,gas	407.74	J/mol×K	662.29	Joback Calculated Property
Cp,gas	420.04	J/mol×K	695.71	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[376.72; 538.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45196e+01
Coefficient B			-4.21228e+03
Coefficient C			-8.07480e+01
Temperature range, min.			376.72
Temperature range, max.			538.20
Pvap	1.33	kPa	376.72	Calculated Property
Pvap	3.01	kPa	394.66	Calculated Property
Pvap	6.21	kPa	412.60	Calculated Property
Pvap	11.91	kPa	430.55	Calculated Property
Pvap	21.44	kPa	448.49	Calculated Property
Pvap	36.53	kPa	466.43	Calculated Property
Pvap	59.35	kPa	484.37	Calculated Property
Pvap	92.54	kPa	502.32	Calculated Property
Pvap	139.15	kPa	520.26	Calculated Property
Pvap	202.65	kPa	538.20	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N,N-diethyl-4-methyl-.

Sources

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

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