Chemical Properties of Benzamide, 3,4,5-trimethoxy- (CAS 3086-62-2)

InChI

InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)

InChI Key

GGNMTJKRHHLJHH-UHFFFAOYSA-N

Formula

C10H13NO4

SMILES

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

Molecular Weight¹

211.21

CAS

3086-62-2

Other Names

• 3,4,5-Trimethoxybenzamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

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, 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	[226.66; 490.84]	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			6.30800e+01
Coefficient B			6.49740e-01
Coefficient C			-1.71280e-04
Coefficient D			-5.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.66	J/mol×K	273.00	Calculated Property
Cp,gas	269.26	J/mol×K	353.78	Calculated Property
Cp,gas	308.92	J/mol×K	434.56	Calculated Property
Cp,gas	345.49	J/mol×K	515.33	Calculated Property
Cp,gas	378.79	J/mol×K	596.11	Calculated Property
Cp,gas	408.68	J/mol×K	676.89	Calculated Property
Cp,gas	434.99	J/mol×K	757.67	Calculated Property
Cp,gas	457.56	J/mol×K	838.44	Calculated Property
Cp,gas	476.23	J/mol×K	919.22	Calculated Property
Cp,gas	490.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3,4,5-trimethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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