Chemical Properties of 2-Hexanamine, 4-methyl- (CAS 105-41-9)

InChI

InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3

InChI Key

YAHRDLICUYEDAU-UHFFFAOYSA-N

Formula

C7H17N

SMILES

CCC(C)CC(C)N

Molecular Weight¹

115.22

CAS

105-41-9

Other Names

• 1,3-Dimethylamylamine
• 1,3-Dimethylpentylamine
• 2-Amino-4-methylhexane
• 4-Methyl-2-hexanamine
• 4-Methyl-2-hexylamine
• Forthan
• Forthane
• Methylhexaneamine
• NSC 1106
• Pentylamine, 1,3-dimethyl-

• 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).
• 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
ω	0.4119		Relay (1.0) Calculated Property
ΔfG°	69.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.04	kJ/mol	Joback Calculated Property
ΔvapH°	42.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	1.770		Crippen Calculated Property
McVol	119.470	ml/mol	McGowan Calculated Property
Pc	3028.94	kPa	Joback Calculated Property
Inp	[1152.30; 1152.30]
Inp	1152.30		NIST
Inp	1152.30		NIST
Tboil	405.23	K	Relay (1.0) Calculated Property
Tc	580.75	K	Relay (1.0) Calculated Property
Tfus	191.77	K	Relay (1.0) Calculated Property
Vc	0.419	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.79; 322.62]	J/mol×K	[431.21; 618.16]
Cp,gas	250.79	J/mol×K	431.21	Joback Calculated Property
Cp,gas	264.14	J/mol×K	462.37	Joback Calculated Property
Cp,gas	276.91	J/mol×K	493.53	Joback Calculated Property
Cp,gas	289.13	J/mol×K	524.68	Joback Calculated Property
Cp,gas	300.81	J/mol×K	555.84	Joback Calculated Property
Cp,gas	311.97	J/mol×K	587.00	Joback Calculated Property
Cp,gas	322.62	J/mol×K	618.16	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[306.52; 446.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43690e+01
Coefficient B			-3.55694e+03
Coefficient C			-5.39210e+01
Temperature range, min.			306.52
Temperature range, max.			446.63
Pvap	1.33	kPa	306.52	Calculated Property
Pvap	3.02	kPa	322.09	Calculated Property
Pvap	6.25	kPa	337.66	Calculated Property
Pvap	12.00	kPa	353.22	Calculated Property
Pvap	21.59	kPa	368.79	Calculated Property
Pvap	36.77	kPa	384.36	Calculated Property
Pvap	59.68	kPa	399.93	Calculated Property
Pvap	92.90	kPa	415.49	Calculated Property
Pvap	139.44	kPa	431.06	Calculated Property
Pvap	202.66	kPa	446.63	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanamine, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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