Chemical Properties of 3,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether

InChI

InChI=1S/C12H15F3O/c1-8(2)3-4-16-7-9-5-10(13)12(15)11(14)6-9/h5-6,8H,3-4,7H2,1-2H3

InChI Key

RGIJTLUUBUWYRG-UHFFFAOYSA-N

Formula

C12H15F3O

SMILES

CC(C)CCOCc1cc(F)c(F)c(F)c1

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°	-558.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.72	kJ/mol	Joback Calculated Property
ΔfusH°	26.61	kJ/mol	Joback Calculated Property
ΔvapH°	46.14	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	3.667		Crippen Calculated Property
McVol	167.360	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[1316.00; 1316.00]
Inp	1316.00		NIST
Inp	1316.00		NIST
Tboil	535.37	K	Joback Calculated Property
Tc	713.35	K	Joback Calculated Property
Tfus	297.98	K	Joback Calculated Property
Vc	0.665	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.86; 471.93]	J/mol×K	[535.37; 713.35]
Cp,gas	397.86	J/mol×K	535.37	Joback Calculated Property
Cp,gas	411.62	J/mol×K	565.03	Joback Calculated Property
Cp,gas	424.80	J/mol×K	594.70	Joback Calculated Property
Cp,gas	437.42	J/mol×K	624.36	Joback Calculated Property
Cp,gas	449.47	J/mol×K	654.02	Joback Calculated Property
Cp,gas	460.97	J/mol×K	683.69	Joback Calculated Property
Cp,gas	471.93	J/mol×K	713.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether.

Sources

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

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