Chemical Properties of Benzamide, 3,4-dimethoxy-N-(3-methylbutyl)-

InChI

InChI=1S/C14H21NO3/c1-10(2)7-8-15-14(16)11-5-6-12(17-3)13(9-11)18-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)

InChI Key

CNUHWGYPQRLXGA-UHFFFAOYSA-N

Formula

C14H21NO3

SMILES

COc1ccc(C(=O)NCCC(C)C)cc1OC

Molecular Weight¹

251.32

• 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°	30.83	kJ/mol	Joback Calculated Property
logPoct/wat	2.480		Crippen Calculated Property
McVol	207.650	ml/mol	McGowan Calculated Property
Inp	[2211.00; 2211.00]
Inp	2211.00		NIST
Inp	2211.00		NIST
Tboil	608.70	K	Relay (1.0) Calculated Property
Tfus	356.94	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.40; 655.58]	J/mol×K	[705.00; 909.12]
Cp,gas	576.40	J/mol×K	705.00	Joback Calculated Property
Cp,gas	591.87	J/mol×K	739.02	Joback Calculated Property
Cp,gas	606.43	J/mol×K	773.04	Joback Calculated Property
Cp,gas	620.07	J/mol×K	807.06	Joback Calculated Property
Cp,gas	632.80	J/mol×K	841.08	Joback Calculated Property
Cp,gas	644.64	J/mol×K	875.10	Joback Calculated Property
Cp,gas	655.58	J/mol×K	909.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 3,4-dimethoxy-N-(3-methylbutyl)-.

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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