Chemical Properties of N,N-Diethylbenzylamine (CAS 772-54-3)

InChI

InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

InChI Key

ZWRDBWDXRLPESY-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCN(CC)Cc1ccccc1

Molecular Weight¹

163.26

CAS

772-54-3

Other Names

• N-Benzyldiethylamine
• Benzenemethanamine, N,N-diethyl-
• Benzylamine, N,N-diethyl-
• Benzyldiethylamine
• Diethylbenzylamine

• 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.
• 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
ω	0.4082		Relay (1.0) Calculated Property
ΔfG°	264.93	kJ/mol	Joback Calculated Property
ΔfH°gas	46.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	54.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.82	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	2.528		Crippen Calculated Property
McVol	152.070	ml/mol	McGowan Calculated Property
Pc	2643.39	kPa	Joback Calculated Property
Inp	[1173.00; 1182.30]
Inp	1182.30		NIST
Inp	1173.00		NIST
Tboil	484.50 ± 0.50	K	NIST
Tc	680.01	K	Relay (1.0) Calculated Property
Tfus	208.97	K	Relay (1.0) Calculated Property
Vc	0.549	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.37; 420.83]	J/mol×K	[490.20; 689.53]
Cp,gas	333.37	J/mol×K	490.20	Joback Calculated Property
Cp,gas	350.20	J/mol×K	523.42	Joback Calculated Property
Cp,gas	366.07	J/mol×K	556.64	Joback Calculated Property
Cp,gas	381.03	J/mol×K	589.86	Joback Calculated Property
Cp,gas	395.11	J/mol×K	623.09	Joback Calculated Property
Cp,gas	408.37	J/mol×K	656.31	Joback Calculated Property
Cp,gas	420.83	J/mol×K	689.53	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to N,N-Diethylbenzylamine.

Sources

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

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