Chemical Properties of Benzamide, N-tetrahydrofurfuryl-3-trifluoromethyl-

InChI

InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-1-3-9(7-10)12(18)17-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,17,18)

InChI Key

GGYGLNQYWGKRAJ-UHFFFAOYSA-N

Formula

C13H14F3NO2

SMILES

O=C(NCC1CCCO1)c1cccc(C(F)(F)F)c1

Molecular Weight¹

273.25

• 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°	33.52	kJ/mol	Joback Calculated Property
logPoct/wat	2.614		Crippen Calculated Property
McVol	182.140	ml/mol	McGowan Calculated Property
Inp	[1781.00; 1781.00]
Inp	1781.00		NIST
Inp	1781.00		NIST
Tboil	593.66	K	Relay (1.0) Calculated Property
Tfus	338.99	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	[250.93; 619.85]	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			-7.17490e+01
Coefficient B			1.43850e+00
Coefficient C			-1.01196e-03
Coefficient D			2.65060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.93	J/mol×K	273.00	Calculated Property
Cp,gas	322.24	J/mol×K	353.78	Calculated Property
Cp,gas	384.01	J/mol×K	434.56	Calculated Property
Cp,gas	437.09	J/mol×K	515.33	Calculated Property
Cp,gas	482.31	J/mol×K	596.11	Calculated Property
Cp,gas	520.50	J/mol×K	676.89	Calculated Property
Cp,gas	552.52	J/mol×K	757.67	Calculated Property
Cp,gas	579.19	J/mol×K	838.44	Calculated Property
Cp,gas	601.35	J/mol×K	919.22	Calculated Property
Cp,gas	619.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-3-trifluoromethyl-.

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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