Chemical Properties of Benzeneethanol, 2,2,2-trifluoro-1-(3-trifluoromethylphenyl)

InChI

InChI=1S/C9H6F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4,7,16H

InChI Key

BSMNENKVFMPEGA-UHFFFAOYSA-N

Formula

C9H6F6O

SMILES

OC(c1cccc(C(F)(F)F)c1)C(F)(F)F

Molecular Weight¹

244.13

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5645		Relay (... Calculated Property
ΔfG°	-1174.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1410.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.93	kJ/mol	Joback Calculated Property
ΔvapH°	72.26	kJ/mol	Relay (... Calculated Property
IE	9.85	eV	Relay (... Calculated Property
log10WS	-2.49		Relay (... Calculated Property
logPoct/wat	3.301		Crippen Calculated Property
McVol	130.400	ml/mol	McGowan Calculated Property
Pc	2775.92	kPa	Joback Calculated Property
Inp	[1055.00; 1055.00]
Inp	1055.00		NIST
Inp	1055.00		NIST
Tboil	435.66	K	Relay (... Calculated Property
Tc	675.25	K	Relay (... Calculated Property
Tfus	332.05	K	Relay (... Calculated Property
Vc	0.489	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.48; 374.52]	J/mol×K	[517.88; 686.84]
Cp,gas	323.48	J/mol×K	517.88	Joback Calculated Property
Cp,gas	333.61	J/mol×K	546.04	Joback Calculated Property
Cp,gas	343.04	J/mol×K	574.20	Joback Calculated Property
Cp,gas	351.81	J/mol×K	602.36	Joback Calculated Property
Cp,gas	359.95	J/mol×K	630.52	Joback Calculated Property
Cp,gas	367.51	J/mol×K	658.68	Joback Calculated Property
Cp,gas	374.52	J/mol×K	686.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, 2,2,2-trifluoro-1-(3-trifluoromethylphenyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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