Chemical Properties of N-cyclopropyl-3,4,5-tri-methoxybenzamide (CAS 92042-04-1)

InChI

InChI=1S/C13H17NO4/c1-16-10-6-8(13(15)14-9-4-5-9)7-11(17-2)12(10)18-3/h6-7,9H,4-5H2,1-3H3,(H,14,15)

InChI Key

SJPYUSAXGYQKLM-UHFFFAOYSA-N

Formula

C13H17NO4

SMILES

COc1cc(C(=O)NC2CC2)cc(OC)c1OC

Molecular Weight¹

251.28

CAS

92042-04-1

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[271.54; 623.51]	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			3.24700e+01
Coefficient B			9.90960e-01
Coefficient C			-4.30580e-04
Coefficient D			3.06600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.54	J/mol×K	273.00	Calculated Property
Cp,gas	330.52	J/mol×K	353.78	Calculated Property
Cp,gas	384.30	J/mol×K	434.56	Calculated Property
Cp,gas	432.99	J/mol×K	515.33	Calculated Property
Cp,gas	476.68	J/mol×K	596.11	Calculated Property
Cp,gas	515.47	J/mol×K	676.89	Calculated Property
Cp,gas	549.44	J/mol×K	757.67	Calculated Property
Cp,gas	578.71	J/mol×K	838.44	Calculated Property
Cp,gas	603.37	J/mol×K	919.22	Calculated Property
Cp,gas	623.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-cyclopropyl-3,4,5-tri-methoxybenzamide.

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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