Chemical Properties of isobutylethyl-amine (CAS 13205-60-2)

InChI

InChI=1S/C6H15N/c1-4-7-5-6(2)3/h6-7H,4-5H2,1-3H3

InChI Key

FNLUJDLKYOWMMF-UHFFFAOYSA-N

Formula

C6H15N

SMILES

CCNCC(C)C

Molecular Weight¹

101.19

CAS

13205-60-2

Other Names

• Ethyl isobutylamine
• 1-Propanamine, N-ethyl-2-methyl

• 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).
• 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	0.3756		Relay (1.0) Calculated Property
ΔfG°	86.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.87	kJ/mol	Joback Calculated Property
ΔvapH°	37.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
logPoct/wat	1.252		Crippen Calculated Property
McVol	105.380	ml/mol	McGowan Calculated Property
Pc	3181.14	kPa	Joback Calculated Property
Inp	[705.00; 705.00]
Inp	705.00		NIST
Inp	705.00		NIST
I	841.00		NIST
Tboil	[350.65; 371.15]	K
Tboil	370.65 ± 1.50	K	NIST
Tboil	350.65 ± 3.00	K	NIST
Tboil	371.15 ± 4.00	K	NIST
Tc	524.13	K	Relay (1.0) Calculated Property
Tfus	183.56	K	Relay (1.0) Calculated Property
Vc	0.391	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.63; 366.30]	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			-5.45800e+00
Coefficient B			6.55960e-01
Coefficient C			-3.54400e-04
Coefficient D			7.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.63	J/mol×K	273.00	Calculated Property
Cp,gas	185.36	J/mol×K	353.78	Calculated Property
Cp,gas	218.43	J/mol×K	434.56	Calculated Property
Cp,gas	248.07	J/mol×K	515.33	Calculated Property
Cp,gas	274.50	J/mol×K	596.11	Calculated Property
Cp,gas	297.95	J/mol×K	676.89	Calculated Property
Cp,gas	318.63	J/mol×K	757.67	Calculated Property
Cp,gas	336.77	J/mol×K	838.44	Calculated Property
Cp,gas	352.58	J/mol×K	919.22	Calculated Property
Cp,gas	366.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to isobutylethyl-amine.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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