Chemical Properties of 4-(Trifluoromethyl)phenyl methanol, tert.-butyl ether

InChI

InChI=1S/C12H15F3O/c1-11(2,3)16-8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,8H2,1-3H3

InChI Key

DDYYKYXUNPEZCS-UHFFFAOYSA-N

Formula

C12H15F3O

SMILES

CC(C)(C)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

232.24

• 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°	-530.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-804.00	kJ/mol	Joback Calculated Property
ΔfusH°	16.09	kJ/mol	Joback Calculated Property
ΔvapH°	42.61	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	4.021		Crippen Calculated Property
McVol	167.360	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1206.00; 1206.00]
Inp	1206.00		NIST
Inp	1206.00		NIST
Tboil	519.39	K	Joback Calculated Property
Tc	712.51	K	Joback Calculated Property
Tfus	292.78	K	Joback Calculated Property
Vc	0.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.98; 484.96]	J/mol×K	[519.39; 712.51]
Cp,gas	402.98	J/mol×K	519.39	Joback Calculated Property
Cp,gas	418.98	J/mol×K	551.58	Joback Calculated Property
Cp,gas	433.98	J/mol×K	583.76	Joback Calculated Property
Cp,gas	448.03	J/mol×K	615.95	Joback Calculated Property
Cp,gas	461.18	J/mol×K	648.14	Joback Calculated Property
Cp,gas	473.47	J/mol×K	680.33	Joback Calculated Property
Cp,gas	484.96	J/mol×K	712.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, tert.-butyl ether.

Sources

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

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