Chemical Properties of N-Propylbenzylamine (CAS 2032-33-9)

InChI

InChI=1S/C10H15N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

InChI Key

OUMBFMLKPJUWDQ-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CCCNCc1ccccc1

Molecular Weight¹

149.23

CAS

2032-33-9

• 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.
• 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
ω	0.4397		Relay (1.0) Calculated Property
ΔfG°	235.12	kJ/mol	Joback Calculated Property
ΔfH°gas	40.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.80	kJ/mol	Joback Calculated Property
ΔvapH°	58.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-1.34		Relay (1.0) Calculated Property
logPoct/wat	2.186		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	2973.04	kPa	Joback Calculated Property
Inp	[1200.00; 1200.00]
Inp	1200.00		NIST
Inp	1200.00		NIST
I	1624.00		NIST
Tboil	489.05	K	Relay (1.0) Calculated Property
Tc	682.06	K	Relay (1.0) Calculated Property
Tfus	220.93	K	Relay (1.0) Calculated Property
Vc	0.504	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.55; 453.60]	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			-4.13170e+01
Coefficient B			9.51120e-01
Coefficient C			-6.00000e-04
Coefficient D			1.43800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.55	J/mol×K	273.00	Calculated Property
Cp,gas	226.44	J/mol×K	353.78	Calculated Property
Cp,gas	270.49	J/mol×K	434.56	Calculated Property
Cp,gas	309.17	J/mol×K	515.33	Calculated Property
Cp,gas	342.91	J/mol×K	596.11	Calculated Property
Cp,gas	372.18	J/mol×K	676.89	Calculated Property
Cp,gas	397.42	J/mol×K	757.67	Calculated Property
Cp,gas	419.11	J/mol×K	838.44	Calculated Property
Cp,gas	437.68	J/mol×K	919.22	Calculated Property
Cp,gas	453.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-Propylbenzylamine.

Sources

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

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