Chemical Properties of 2,3,4,5,6-Pentafluorocinnamic acid

InChI

InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1-

InChI Key

IUUKDBLGVZISGW-OWOJBTEDSA-N

Formula

C9H3F5O2

SMILES

O=C(O)/C=C/c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

238.11

Other Names

• Pentafluorocinnamic acid

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[192.51; 365.47]	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			5.31700e+01
Coefficient B			6.12200e-01
Coefficient C			-4.00200e-04
Coefficient D			1.00300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.51	J/mol×K	273.00	Calculated Property
Cp,gas	224.11	J/mol×K	353.78	Calculated Property
Cp,gas	251.86	J/mol×K	434.56	Calculated Property
Cp,gas	276.10	J/mol×K	515.33	Calculated Property
Cp,gas	297.15	J/mol×K	596.11	Calculated Property
Cp,gas	315.30	J/mol×K	676.89	Calculated Property
Cp,gas	330.90	J/mol×K	757.67	Calculated Property
Cp,gas	344.25	J/mol×K	838.44	Calculated Property
Cp,gas	355.67	J/mol×K	919.22	Calculated Property
Cp,gas	365.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-Pentafluorocinnamic acid.

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.
These property values are available through the Cheméo API. A free account gives you an access key.