Chemical Properties of Octanamide, N-ethyl-N-(3-methylphenyl)-

InChI

InChI=1S/C17H27NO/c1-4-6-7-8-9-13-17(19)18(5-2)16-12-10-11-15(3)14-16/h10-12,14H,4-9,13H2,1-3H3

InChI Key

RTKPBOCQCMXBJO-UHFFFAOYSA-N

Formula

C17H27NO

SMILES

CCCCCCCC(=O)N(CC)c1cccc(C)c1

Molecular Weight¹

261.40

• 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	0.7742		Relay (1.0) Calculated Property
ΔfG°	176.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.06	kJ/mol	Joback Calculated Property
ΔvapH°	83.82	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.76		Relay (1.0) Calculated Property
logPoct/wat	4.708		Crippen Calculated Property
McVol	238.180	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	607.05	K	Relay (1.0) Calculated Property
Tc	815.33	K	Relay (1.0) Calculated Property
Tfus	314.24	K	Relay (1.0) Calculated Property
Vc	0.887	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[665.78; 758.88]	J/mol×K	[686.33; 879.80]
Cp,gas	665.78	J/mol×K	686.33	Joback Calculated Property
Cp,gas	683.67	J/mol×K	718.58	Joback Calculated Property
Cp,gas	700.55	J/mol×K	750.82	Joback Calculated Property
Cp,gas	716.47	J/mol×K	783.07	Joback Calculated Property
Cp,gas	731.47	J/mol×K	815.31	Joback Calculated Property
Cp,gas	745.59	J/mol×K	847.56	Joback Calculated Property
Cp,gas	758.88	J/mol×K	879.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octanamide, N-ethyl-N-(3-methylphenyl)-.

Sources

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

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