Chemical Properties of 1-Pentanamine, N,N-dipentyl- (CAS 621-77-2)

InChI

InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

InChI Key

OOHAUGDGCWURIT-UHFFFAOYSA-N

Formula

C15H33N

SMILES

CCCCCN(CCCCC)CCCCC

Molecular Weight¹

227.43

CAS

621-77-2

Other Names

• N,N-dipentyl-1-pentanamine
• tri-n-Amylamine
• tri-n-Pentylamine
• triamylamine
• tripentylamine

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : 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	0.6785		Relay (1.0) Calculated Property
ΔfG°	186.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.63	kJ/mol	Joback Calculated Property
ΔvapH°	68.61	kJ/mol	Relay (1.0) Calculated Property
IE	7.43	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	4.859		Crippen Calculated Property
McVol	232.190	ml/mol	McGowan Calculated Property
Pc	1413.31	kPa	Joback Calculated Property
Inp	[1420.00; 1456.00]
Inp	1427.00		NIST
Inp	1427.00		NIST
Inp	1420.00		NIST
Inp	1420.00		NIST
Inp	Outlier 1456.00		NIST
Inp	1420.00		NIST
Ip	[1469.00; 1469.00]
Ip	1469.00		NIST
Ip	1469.00		NIST
Tboil	[515.65; 515.70]	K
Tboil	515.70	K	NIST
Tboil	515.65 ± 4.00	K	NIST
Tc	689.06	K	Relay (1.0) Calculated Property
Tfus	216.01	K	Relay (1.0) Calculated Property
Vc	0.890	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.20; 831.22]	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			-2.14380e+01
Coefficient B			1.55276e+00
Coefficient C			-9.04800e-04
Coefficient D			2.04700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.20	J/mol×K	273.00	Calculated Property
Cp,gas	423.71	J/mol×K	353.78	Calculated Property
Cp,gas	499.26	J/mol×K	434.56	Calculated Property
Cp,gas	566.48	J/mol×K	515.33	Calculated Property
Cp,gas	626.02	J/mol×K	596.11	Calculated Property
Cp,gas	678.53	J/mol×K	676.89	Calculated Property
Cp,gas	724.66	J/mol×K	757.67	Calculated Property
Cp,gas	765.05	J/mol×K	838.44	Calculated Property
Cp,gas	800.36	J/mol×K	919.22	Calculated Property
Cp,gas	831.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[394.92; 544.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57439e+01
Coefficient B			-4.79577e+03
Coefficient C			-8.46400e+01
Temperature range, min.			394.92
Temperature range, max.			544.34
Pvap	1.33	kPa	394.92	Calculated Property
Pvap	2.92	kPa	411.52	Calculated Property
Pvap	5.94	kPa	428.12	Calculated Property
Pvap	11.31	kPa	444.73	Calculated Property
Pvap	20.34	kPa	461.33	Calculated Property
Pvap	34.81	kPa	477.93	Calculated Property
Pvap	57.04	kPa	494.53	Calculated Property
Pvap	89.95	kPa	511.14	Calculated Property
Pvap	137.08	kPa	527.74	Calculated Property
Pvap	202.65	kPa	544.34	Calculated Property
Pvap	[0.01; 0.14]	kPa	[298.15; 338.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.54166e+01
Coefficient B			-5.89585e+03
Coefficient C			4.32624e-03
Coefficient D			-7.05007e-09
Coefficient E			0.00000e+00
Temperature range, min.			298.15
Temperature range, max.			338.15
Pvap	0.01	kPa	298.15	Calculated Property
Pvap	0.02	kPa	302.59	Calculated Property
Pvap	0.02	kPa	307.04	Calculated Property
Pvap	0.03	kPa	311.48	Calculated Property
Pvap	0.04	kPa	315.93	Calculated Property
Pvap	0.05	kPa	320.37	Calculated Property
Pvap	0.07	kPa	324.82	Calculated Property
Pvap	0.08	kPa	329.26	Calculated Property
Pvap	0.11	kPa	333.71	Calculated Property
Pvap	0.14	kPa	338.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentanamine, N,N-dipentyl-.

Mixtures

• 1-Pentanamine, N,N-dipentyl- + Methyl Alcohol
• 1-Pentanamine, N,N-dipentyl- + Heptane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
• Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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