Chemical Properties of Benzamide, 2-hydroxy, 3-(1-methylethyl), N-methyl

InChI

InChI=1S/C11H15NO2/c1-7(2)8-5-4-6-9(10(8)13)11(14)12-3/h4-7,13H,1-3H3,(H,12,14)

InChI Key

CHKZEOWNQYEEMH-UHFFFAOYSA-N

Formula

C11H15NO2

SMILES

CNC(=O)c1cccc(C(C)C)c1O

Molecular Weight¹

193.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfH°gas	-363.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.86	kJ/mol	Joback Calculated Property
ΔvapH°	89.47	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	1.875		Crippen Calculated Property
McVol	159.510	ml/mol	McGowan Calculated Property
Inp	[1650.00; 1650.00]
Inp	1650.00		NIST
Inp	1650.00		NIST
Tboil	546.99	K	Relay (1.0) Calculated Property
Tfus	391.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[217.81; 514.13]	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			-3.11700e+01
Coefficient B			1.11916e+00
Coefficient C			-8.28220e-04
Coefficient D			2.54360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.81	J/mol×K	273.00	Calculated Property
Cp,gas	272.37	J/mol×K	353.78	Calculated Property
Cp,gas	319.64	J/mol×K	434.56	Calculated Property
Cp,gas	360.43	J/mol×K	515.33	Calculated Property
Cp,gas	395.55	J/mol×K	596.11	Calculated Property
Cp,gas	425.79	J/mol×K	676.89	Calculated Property
Cp,gas	451.97	J/mol×K	757.67	Calculated Property
Cp,gas	474.88	J/mol×K	838.44	Calculated Property
Cp,gas	495.33	J/mol×K	919.22	Calculated Property
Cp,gas	514.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-hydroxy, 3-(1-methylethyl), N-methyl.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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