Chemical Properties of Isobutyramide, N-(2-ethylhexyl)-

InChI

InChI=1S/C12H25NO/c1-5-7-8-11(6-2)9-13-12(14)10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)

InChI Key

APULSUCKABFBNS-UHFFFAOYSA-N

Formula

C12H25NO

SMILES

CCCCC(CC)CNC(=O)C(C)C

Molecular Weight¹

199.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.6084		Relay (1.0) Calculated Property
ΔfH°gas	-454.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.49	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.94		Relay (1.0) Calculated Property
logPoct/wat	2.975		Crippen Calculated Property
McVol	191.490	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[1504.00; 1504.00]
Inp	1504.00		NIST
Inp	1504.00		NIST
Tboil	518.50	K	Relay (1.0) Calculated Property
Tc	705.68	K	Relay (1.0) Calculated Property
Tfus	252.67	K	Relay (1.0) Calculated Property
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.53; 665.41]	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			-5.23500e+00
Coefficient B			1.20388e+00
Coefficient C			-6.65300e-04
Coefficient D			1.32060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.53	J/mol×K	273.00	Calculated Property
Cp,gas	343.25	J/mol×K	353.78	Calculated Property
Cp,gas	403.12	J/mol×K	434.56	Calculated Property
Cp,gas	456.56	J/mol×K	515.33	Calculated Property
Cp,gas	503.97	J/mol×K	596.11	Calculated Property
Cp,gas	545.79	J/mol×K	676.89	Calculated Property
Cp,gas	582.42	J/mol×K	757.67	Calculated Property
Cp,gas	614.29	J/mol×K	838.44	Calculated Property
Cp,gas	641.81	J/mol×K	919.22	Calculated Property
Cp,gas	665.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyramide, N-(2-ethylhexyl)-.

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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