Chemical Properties of N-Butylbenzylamine (CAS 2403-22-7)

InChI

InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

InChI Key

HIPXPABRMMYVQD-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CCCCNCc1ccccc1

Molecular Weight¹

163.26

CAS

2403-22-7

Other Names

• Benzenemethanamine, N-butyl-
• Benzylamine, N-butyl-
• Benzylbutylamine
• Butylbenzylamine
• N-(n-Butyl)benzylamine
• N-Benzyl-N-butylamine
• N-Benzylbutylamine
• NSC 15681
• NSC 32386

• 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).
• 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_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
ΔfG°	243.54	kJ/mol	Joback Calculated Property
ΔfH°gas	19.63	kJ/mol	Joback Calculated Property
ΔfusH°	23.39	kJ/mol	Joback Calculated Property
ΔvapH°	48.79	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	152.070	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
Inp	[1302.50; 1302.50]
Inp	1302.50		NIST
Inp	1302.50		NIST
I	1726.00		NIST
Tboil	527.93	K	Joback Calculated Property
Tc	731.26	K	Joback Calculated Property
Tfus	292.81	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.57; 433.71]	J/mol×K	[527.93; 731.26]
Cp,gas	350.57	J/mol×K	527.93	Joback Calculated Property
Cp,gas	366.56	J/mol×K	561.82	Joback Calculated Property
Cp,gas	381.64	J/mol×K	595.71	Joback Calculated Property
Cp,gas	395.87	J/mol×K	629.60	Joback Calculated Property
Cp,gas	409.26	J/mol×K	663.49	Joback Calculated Property
Cp,gas	421.86	J/mol×K	697.37	Joback Calculated Property
Cp,gas	433.71	J/mol×K	731.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[385.50; 558.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40687e+01
Coefficient B			-4.15058e+03
Coefficient C			-8.43200e+01
Temperature range, min.			385.50
Temperature range, max.			558.28
Pvap	1.33	kPa	385.50	Calculated Property
Pvap	3.04	kPa	404.70	Calculated Property
Pvap	6.33	kPa	423.90	Calculated Property
Pvap	12.18	kPa	443.09	Calculated Property
Pvap	21.92	kPa	462.29	Calculated Property
Pvap	37.27	kPa	481.49	Calculated Property
Pvap	60.35	kPa	500.69	Calculated Property
Pvap	93.64	kPa	519.88	Calculated Property
Pvap	140.01	kPa	539.08	Calculated Property
Pvap	202.64	kPa	558.28	Calculated Property

Similar Compounds

Find more compounds similar to N-Butylbenzylamine.

Sources

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

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