Chemical Properties of Hydrocinnamamide, 2,3,4,5,6-pentafluoro- (CAS 1994-24-7)

InChI

InChI=1S/C9H6F5NO/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H2,(H2,15,16)

InChI Key

SQAOPJSPFRAAKB-UHFFFAOYSA-N

Formula

C9H6F5NO

SMILES

NC(=O)CCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

239.14

CAS

1994-24-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[214.19; 410.26]	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			7.66020e+01
Coefficient B			5.75300e-01
Coefficient C			-2.68500e-04
Coefficient D			2.68600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.19	J/mol×K	273.00	Calculated Property
Cp,gas	247.71	J/mol×K	353.78	Calculated Property
Cp,gas	278.10	J/mol×K	434.56	Calculated Property
Cp,gas	305.44	J/mol×K	515.33	Calculated Property
Cp,gas	329.82	J/mol×K	596.11	Calculated Property
Cp,gas	351.33	J/mol×K	676.89	Calculated Property
Cp,gas	370.04	J/mol×K	757.67	Calculated Property
Cp,gas	386.04	J/mol×K	838.44	Calculated Property
Cp,gas	399.42	J/mol×K	919.22	Calculated Property
Cp,gas	410.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hydrocinnamamide, 2,3,4,5,6-pentafluoro-.

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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