Chemical Properties of Benzene, 1-trifluoromethyl-3-(2,2,2-trifluoroethyl)

InChI

InChI=1S/C9H6F6/c10-8(11,12)5-6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2

InChI Key

ZDMPOTKYTHEWOD-UHFFFAOYSA-N

Formula

C9H6F6

SMILES

FC(F)(F)Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

228.13

• 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).
• 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
ΔfG°	-1035.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1198.19	kJ/mol	Joback Calculated Property
ΔfusH°	16.37	kJ/mol	Joback Calculated Property
ΔvapH°	31.07	kJ/mol	Joback Calculated Property
log10WS	-4.04		Crippen Calculated Property
logPoct/wat	3.810		Crippen Calculated Property
McVol	124.530	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[834.00; 834.00]
Inp	834.00		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Tboil	426.14	K	Joback Calculated Property
Tc	597.68	K	Joback Calculated Property
Tfus	238.51	K	Joback Calculated Property
Vc	0.517	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.93; 332.96]	J/mol×K	[426.14; 597.68]
Cp,gas	269.93	J/mol×K	426.14	Joback Calculated Property
Cp,gas	282.34	J/mol×K	454.73	Joback Calculated Property
Cp,gas	293.94	J/mol×K	483.32	Joback Calculated Property
Cp,gas	304.76	J/mol×K	511.91	Joback Calculated Property
Cp,gas	314.85	J/mol×K	540.50	Joback Calculated Property
Cp,gas	324.23	J/mol×K	569.09	Joback Calculated Property
Cp,gas	332.96	J/mol×K	597.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-trifluoromethyl-3-(2,2,2-trifluoroethyl).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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