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

InChI

InChI=1S/C8H6ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H

InChI Key

IFUMGCOCVZUIRR-UHFFFAOYSA-N

Formula

C8H6ClF3O

SMILES

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

Molecular Weight¹

210.58

• 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°	-613.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.72	kJ/mol	Joback Calculated Property
ΔfusH°	16.72	kJ/mol	Joback Calculated Property
ΔvapH°	53.27	kJ/mol	Joback Calculated Property
log10WS	-3.34		Crippen Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	123.240	ml/mol	McGowan Calculated Property
Pc	3368.44	kPa	Joback Calculated Property
Inp	[1206.00; 1206.00]
Inp	1206.00		NIST
Inp	1206.00		NIST
Tboil	537.85	K	Joback Calculated Property
Tc	728.45	K	Joback Calculated Property
Tfus	298.79	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.12; 322.18]	J/mol×K	[537.85; 728.45]
Cp,gas	276.12	J/mol×K	537.85	Joback Calculated Property
Cp,gas	285.30	J/mol×K	569.62	Joback Calculated Property
Cp,gas	293.83	J/mol×K	601.38	Joback Calculated Property
Cp,gas	301.75	J/mol×K	633.15	Joback Calculated Property
Cp,gas	309.09	J/mol×K	664.92	Joback Calculated Property
Cp,gas	315.88	J/mol×K	696.68	Joback Calculated Property
Cp,gas	322.18	J/mol×K	728.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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