Chemical Properties of Benzamide, 3,4-dimethoxy-N-isobutyl-

InChI

InChI=1S/C13H19NO3/c1-9(2)8-14-13(15)10-5-6-11(16-3)12(7-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)

InChI Key

VBWABQJMGFHEJR-UHFFFAOYSA-N

Formula

C13H19NO3

SMILES

COc1ccc(C(=O)NCC(C)C)cc1OC

Molecular Weight¹

237.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.24	kJ/mol	Joback Calculated Property
logPoct/wat	2.090		Crippen Calculated Property
McVol	193.560	ml/mol	McGowan Calculated Property
Inp	[2087.00; 2087.00]
Inp	2087.00		NIST
Inp	2087.00		NIST
Tboil	596.00	K	Relay (1.0) Calculated Property
Tfus	363.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[276.71; 628.85]	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			4.12310e+01
Coefficient B			9.68680e-01
Coefficient C			-3.91620e-04
Coefficient D			1.05600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.71	J/mol×K	273.00	Calculated Property
Cp,gas	335.38	J/mol×K	353.78	Calculated Property
Cp,gas	389.09	J/mol×K	434.56	Calculated Property
Cp,gas	437.87	J/mol×K	515.33	Calculated Property
Cp,gas	481.75	J/mol×K	596.11	Calculated Property
Cp,gas	520.76	J/mol×K	676.89	Calculated Property
Cp,gas	554.95	J/mol×K	757.67	Calculated Property
Cp,gas	584.34	J/mol×K	838.44	Calculated Property
Cp,gas	608.96	J/mol×K	919.22	Calculated Property
Cp,gas	628.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3,4-dimethoxy-N-isobutyl-.

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

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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