Chemical Properties of 1,1,2-TRIFLUORO-1,2-DIPHENYLETHANE

InChI

InChI=1S/C14H11F3/c15-13(11-7-3-1-4-8-11)14(16,17)12-9-5-2-6-10-12/h1-10,13H

InChI Key

DSSQFJAXTVBOCK-UHFFFAOYSA-N

Formula

C14H11F3

SMILES

FC(c1ccccc1)C(F)(F)c1ccccc1

Molecular Weight¹

236.24

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔcH°solid	-7069.10 ± 1.90	kJ/mol	NIST
ΔfH°gas	-462.20 ± 2.10	kJ/mol	NIST
ΔfH°solid	-555.30 ± 1.90	kJ/mol	NIST
ΔfusH°	18.40	kJ/mol	Joback Calculated Property
ΔsubH°	[93.10; 93.13]	kJ/mol
ΔsubH°	93.13 ± 0.79	kJ/mol	NIST
ΔsubH°	93.10	kJ/mol	NIST
ΔvapH°	73.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	4.489		Crippen Calculated Property
McVol	165.910	ml/mol	McGowan Calculated Property
Tboil	536.36	K	Relay (1.0) Calculated Property
Tc	786.06	K	Relay (1.0) Calculated Property
Tfus	351.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.78; 527.77]	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			-8.55300e+01
Coefficient B			1.34310e+00
Coefficient C			-1.02440e-03
Coefficient D			2.94600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.78	J/mol×K	273.00	Calculated Property
Cp,gas	274.46	J/mol×K	353.78	Calculated Property
Cp,gas	328.85	J/mol×K	434.56	Calculated Property
Cp,gas	374.88	J/mol×K	515.33	Calculated Property
Cp,gas	413.49	J/mol×K	596.11	Calculated Property
Cp,gas	445.61	J/mol×K	676.89	Calculated Property
Cp,gas	472.16	J/mol×K	757.67	Calculated Property
Cp,gas	494.09	J/mol×K	838.44	Calculated Property
Cp,gas	512.31	J/mol×K	919.22	Calculated Property
Cp,gas	527.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,2-TRIFLUORO-1,2-DIPHENYLETHANE.

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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