Chemical Properties of isobutyl-n-butyl-amine (CAS 20810-06-4)

InChI

InChI=1S/C8H19N/c1-4-5-6-9-7-8(2)3/h8-9H,4-7H2,1-3H3

InChI Key

CCRUHKGZAQXBKC-UHFFFAOYSA-N

Formula

C8H19N

SMILES

CCCCNCC(C)C

Molecular Weight¹

129.24

CAS

20810-06-4

Other Names

• Butylisobutyl amine
• N-isobutylbutylamine
• 1-Butanamine, N-(2-methylpropyl)-

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4658		Relay (1.0) Calculated Property
ΔcH°liquid	-5647.70 ± 5.20	kJ/mol	NIST
ΔfG°	103.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.00 ± 6.30	kJ/mol	NIST
ΔfH°liquid	-216.00 ± 5.00	kJ/mol	NIST
ΔfusH°	18.05	kJ/mol	Joback Calculated Property
ΔvapH°	41.00	kJ/mol	NIST
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-1.56		Relay (1.0) Calculated Property
logPoct/wat	2.032		Crippen Calculated Property
McVol	133.560	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	898.00		NIST
I	[1014.00; 1014.00]
I	1014.00		NIST
I	1014.00		NIST
Tboil	413.55	K	Relay (1.0) Calculated Property
Tc	571.92	K	Relay (1.0) Calculated Property
Tfus	195.36	K	Relay (1.0) Calculated Property
Vc	0.501	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.00; 41.20]	kJ/mol	[313.00; 368.00]
ΔvapH	41.00 ± 1.00	kJ/mol	313.00	NIST
ΔvapH	41.20	kJ/mol	368.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.06; 469.48]	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			-7.27600e+00
Coefficient B			8.45960e-01
Coefficient C			-4.63200e-04
Coefficient D			9.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.06	J/mol×K	273.00	Calculated Property
Cp,gas	238.19	J/mol×K	353.78	Calculated Property
Cp,gas	280.58	J/mol×K	434.56	Calculated Property
Cp,gas	318.53	J/mol×K	515.33	Calculated Property
Cp,gas	352.32	J/mol×K	596.11	Calculated Property
Cp,gas	382.27	J/mol×K	676.89	Calculated Property
Cp,gas	408.66	J/mol×K	757.67	Calculated Property
Cp,gas	431.80	J/mol×K	838.44	Calculated Property
Cp,gas	451.97	J/mol×K	919.22	Calculated Property
Cp,gas	469.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to isobutyl-n-butyl-amine.

Sources

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

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