Chemical Properties of 2-Fluoro-3-(trifluoromethyl)phenol, methyl ether

InChI

InChI=1S/C8H6F4O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3

InChI Key

YZZDEYSCSPZMIG-UHFFFAOYSA-N

Formula

C8H6F4O

SMILES

COc1cccc(C(F)(F)F)c1F

Molecular Weight¹

194.13

• 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°	-771.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-920.27	kJ/mol	Joback Calculated Property
ΔfusH°	15.83	kJ/mol	Joback Calculated Property
ΔvapH°	34.85	kJ/mol	Joback Calculated Property
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	112.770	ml/mol	McGowan Calculated Property
Pc	2881.21	kPa	Joback Calculated Property
Inp	[997.30; 997.30]
Inp	997.30		NIST
Inp	997.30		NIST
Tboil	435.35	K	Joback Calculated Property
Tc	616.72	K	Joback Calculated Property
Tfus	258.39	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.63; 290.28]	J/mol×K	[435.35; 616.72]
Cp,gas	235.63	J/mol×K	435.35	Joback Calculated Property
Cp,gas	246.04	J/mol×K	465.58	Joback Calculated Property
Cp,gas	255.90	J/mol×K	495.81	Joback Calculated Property
Cp,gas	265.24	J/mol×K	526.03	Joback Calculated Property
Cp,gas	274.08	J/mol×K	556.26	Joback Calculated Property
Cp,gas	282.41	J/mol×K	586.49	Joback Calculated Property
Cp,gas	290.28	J/mol×K	616.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Fluoro-3-(trifluoromethyl)phenol, methyl ether.

Sources

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

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