Chemical Properties of Octanamide, N-(2,5-dimethoxyphenyl)-

InChI

InChI=1S/C16H25NO3/c1-4-5-6-7-8-9-16(18)17-14-12-13(19-2)10-11-15(14)20-3/h10-12H,4-9H2,1-3H3,(H,17,18)

InChI Key

VRBOQYRNOHMGJE-UHFFFAOYSA-N

Formula

C16H25NO3

SMILES

CCCCCCCC(=O)Nc1cc(OC)ccc1OC

Molecular Weight¹

279.37

• 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	0.8889		Relay (1.0) Calculated Property
ΔfG°	-72.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.53	kJ/mol	Joback Calculated Property
ΔvapH°	94.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	235.830	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2274.00; 2274.00]
Inp	2274.00		NIST
Inp	2274.00		NIST
Tboil	624.35	K	Relay (1.0) Calculated Property
Tc	854.69	K	Relay (1.0) Calculated Property
Tfus	367.59	K	Relay (1.0) Calculated Property
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.95; 767.32]	J/mol×K	[751.00; 948.50]
Cp,gas	685.95	J/mol×K	751.00	Joback Calculated Property
Cp,gas	701.87	J/mol×K	783.92	Joback Calculated Property
Cp,gas	716.83	J/mol×K	816.83	Joback Calculated Property
Cp,gas	730.85	J/mol×K	849.75	Joback Calculated Property
Cp,gas	743.93	J/mol×K	882.66	Joback Calculated Property
Cp,gas	756.08	J/mol×K	915.58	Joback Calculated Property
Cp,gas	767.32	J/mol×K	948.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octanamide, N-(2,5-dimethoxyphenyl)-.

Sources

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

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