Chemical Properties of 1-Butanamine, 3-methyl, N,N-diethyl

InChI

InChI=1S/C9H21N/c1-5-10(6-2)8-7-9(3)4/h9H,5-8H2,1-4H3

InChI Key

FJPUTKPSUZLWMN-UHFFFAOYSA-N

Formula

C9H21N

SMILES

CCN(CC)CCC(C)C

Molecular Weight¹

143.27

Other Names

• Diethyl isoamylamine

• 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.
• 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	0.4096		Relay (1.0) Calculated Property
ΔfG°	133.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.56	kJ/mol	Joback Calculated Property
ΔvapH°	44.92	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	147.650	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Inp	[902.00; 902.00]
Inp	902.00		NIST
Inp	902.00		NIST
Tboil	421.42	K	Relay (1.0) Calculated Property
Tc	586.49	K	Relay (1.0) Calculated Property
Tfus	170.69	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.60; 522.21]	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			-1.76660e+01
Coefficient B			9.88680e-01
Coefficient C			-5.81600e-04
Coefficient D			1.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.60	J/mol×K	273.00	Calculated Property
Cp,gas	265.19	J/mol×K	353.78	Calculated Property
Cp,gas	313.04	J/mol×K	434.56	Calculated Property
Cp,gas	355.55	J/mol×K	515.33	Calculated Property
Cp,gas	393.16	J/mol×K	596.11	Calculated Property
Cp,gas	426.27	J/mol×K	676.89	Calculated Property
Cp,gas	455.31	J/mol×K	757.67	Calculated Property
Cp,gas	480.70	J/mol×K	838.44	Calculated Property
Cp,gas	502.86	J/mol×K	919.22	Calculated Property
Cp,gas	522.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanamine, 3-methyl, N,N-diethyl.

Sources

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

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