Chemical Properties of 1-Hexanamine, N,N-dihexyl- (CAS 102-86-3)

InChI

InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

InChI Key

DIAIBWNEUYXDNL-UHFFFAOYSA-N

Formula

C18H39N

SMILES

CCCCCCN(CCCCCC)CCCCCC

Molecular Weight¹

269.51

CAS

102-86-3

Other Names

• N,N-dihexyl-1-hexanamine
• Tri-n-hexylamine
• Trihexylamine

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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_fH°_liquid : Liquid phase 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-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
ΔcH°liquid	-12223.80 ± 1.50	kJ/mol	NIST
ΔfG°	211.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-347.32	kJ/mol	Joback Calculated Property
ΔfH°liquid	-433.30 ± 1.50	kJ/mol	NIST
ΔfusH°	45.40	kJ/mol	Joback Calculated Property
ΔvapH°	57.70	kJ/mol	Joback Calculated Property
log10WS	-5.93		Crippen Calculated Property
logPoct/wat	6.029		Crippen Calculated Property
McVol	274.460	ml/mol	McGowan Calculated Property
Pc	1150.65	kPa	Joback Calculated Property
Inp	[1730.00; 1741.00]
Inp	1740.00		NIST
Inp	1741.00		NIST
Inp	1730.00		NIST
Inp	1740.00		NIST
Tboil	[533.15; 564.15]	K
Tboil	536.70	K	NIST
Tboil	564.15 ± 2.00	K	NIST
Tboil	537.15 ± 3.00	K	NIST
Tboil	533.15 ± 4.00	K	NIST
Tc	782.28	K	Joback Calculated Property
Tfus	325.09	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.90; 874.99]	J/mol×K	[623.68; 782.28]
Cp,gas	764.90	J/mol×K	623.68	Joback Calculated Property
Cp,gas	785.25	J/mol×K	650.11	Joback Calculated Property
Cp,gas	804.77	J/mol×K	676.55	Joback Calculated Property
Cp,gas	823.47	J/mol×K	702.98	Joback Calculated Property
Cp,gas	841.39	J/mol×K	729.41	Joback Calculated Property
Cp,gas	858.55	J/mol×K	755.84	Joback Calculated Property
Cp,gas	874.99	J/mol×K	782.28	Joback Calculated Property
ρl	796.22	kg/m3	298.15	Partial...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[411.72; 566.33]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57498e+01
Coefficient B			-4.96712e+03
Coefficient C			-9.04780e+01
Temperature range, min.			411.72
Temperature range, max.			566.33
Pvap	1.33	kPa	411.72	Calculated Property
Pvap	2.92	kPa	428.90	Calculated Property
Pvap	5.94	kPa	446.08	Calculated Property
Pvap	11.30	kPa	463.26	Calculated Property
Pvap	20.33	kPa	480.44	Calculated Property
Pvap	34.80	kPa	497.61	Calculated Property
Pvap	57.03	kPa	514.79	Calculated Property
Pvap	89.94	kPa	531.97	Calculated Property
Pvap	137.07	kPa	549.15	Calculated Property
Pvap	202.64	kPa	566.33	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexanamine, N,N-dihexyl-.

Mixtures

• 1-Hexanamine, N,N-dihexyl- + Methyl Alcohol

Sources

• Crippen Method
• Crippen Method
• Partial molar volume of tertiary amines in methanol at T = 298.15 K. Solvation, shape and specific interactions
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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