Chemical Properties of 2,3,4,5-Tetrafluorobenzyl alcohol, 3-methylbutyl ether

InChI

InChI=1S/C12H14F4O/c1-7(2)3-4-17-6-8-5-9(13)11(15)12(16)10(8)14/h5,7H,3-4,6H2,1-2H3

InChI Key

NDQHQKMKEVKBPF-UHFFFAOYSA-N

Formula

C12H14F4O

SMILES

CC(C)CCOCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

250.23

• 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°	-762.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1022.30	kJ/mol	Joback Calculated Property
ΔfusH°	29.31	kJ/mol	Joback Calculated Property
ΔvapH°	45.98	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen Calculated Property
logPoct/wat	3.806		Crippen Calculated Property
McVol	169.130	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[1281.00; 1281.00]
Inp	1281.00		NIST
Inp	1281.00		NIST
Tboil	539.62	K	Joback Calculated Property
Tc	710.90	K	Joback Calculated Property
Tfus	311.09	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.23; 476.18]	J/mol×K	[539.62; 710.90]
Cp,gas	406.23	J/mol×K	539.62	Joback Calculated Property
Cp,gas	419.13	J/mol×K	568.17	Joback Calculated Property
Cp,gas	431.53	J/mol×K	596.71	Joback Calculated Property
Cp,gas	443.43	J/mol×K	625.26	Joback Calculated Property
Cp,gas	454.84	J/mol×K	653.81	Joback Calculated Property
Cp,gas	465.76	J/mol×K	682.36	Joback Calculated Property
Cp,gas	476.18	J/mol×K	710.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5-Tetrafluorobenzyl alcohol, 3-methylbutyl ether.

Sources

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

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