Chemical Properties of Propanamide, N-(2,5-dimethoxyphenyl)-2-methyl-

InChI

InChI=1S/C12H17NO3/c1-8(2)12(14)13-10-7-9(15-3)5-6-11(10)16-4/h5-8H,1-4H3,(H,13,14)

InChI Key

BSBQTFPDFZGILM-UHFFFAOYSA-N

Formula

C12H17NO3

SMILES

COc1ccc(OC)c(N=C(O)C(C)C)c1

Molecular Weight¹

223.27

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8057		Relay (1.0) Calculated Property
ΔfG°	-113.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-408.39	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-2.72		Relay (1.0) Calculated Property
logPoct/wat	2.948		Crippen Calculated Property
McVol	179.470	ml/mol	McGowan Calculated Property
Pc	2261.11	kPa	Joback Calculated Property
Inp	[1793.00; 1793.00]
Inp	1793.00		NIST
Inp	1793.00		NIST
Tboil	584.16	K	Relay (1.0) Calculated Property
Tc	788.98	K	Relay (1.0) Calculated Property
Tfus	406.44	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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