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

InChI

InChI=1S/C13H17NO3/c1-16-10-6-7-12(17-2)11(8-10)14-13(15)9-4-3-5-9/h6-9H,3-5H2,1-2H3,(H,14,15)

InChI Key

RJOFFLXFRCDEGY-UHFFFAOYSA-N

Formula

C13H17NO3

SMILES

COc1ccc(OC)c(NC(=O)C2CCC2)c1

Molecular Weight¹

235.28

• 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	0.6979		Relay (1.0) Calculated Property
ΔfG°	-49.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	182.700	ml/mol	McGowan Calculated Property
Pc	2581.96	kPa	Joback Calculated Property
Inp	[2024.00; 2024.00]
Inp	2024.00		NIST
Inp	2024.00		NIST
Tboil	612.91	K	Relay (1.0) Calculated Property
Tc	868.89	K	Relay (1.0) Calculated Property
Tfus	387.21	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.59; 588.77]	J/mol×K	[693.37; 915.32]
Cp,gas	509.59	J/mol×K	693.37	Joback Calculated Property
Cp,gas	525.34	J/mol×K	730.36	Joback Calculated Property
Cp,gas	540.04	J/mol×K	767.35	Joback Calculated Property
Cp,gas	553.71	J/mol×K	804.35	Joback Calculated Property
Cp,gas	566.37	J/mol×K	841.34	Joback Calculated Property
Cp,gas	578.05	J/mol×K	878.33	Joback Calculated Property
Cp,gas	588.77	J/mol×K	915.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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