Chemical Properties of 3,4-Difluorobenzyl alcohol, tert.-butyl ether

InChI

InChI=1S/C11H14F2O/c1-11(2,3)14-7-8-4-5-9(12)10(13)6-8/h4-6H,7H2,1-3H3

InChI Key

XAHGLAMYUOPINE-UHFFFAOYSA-N

Formula

C11H14F2O

SMILES

CC(C)(C)OCc1ccc(F)c(F)c1

Molecular Weight¹

200.23

• 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°	-356.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.97	kJ/mol	Joback Calculated Property
ΔfusH°	17.44	kJ/mol	Joback Calculated Property
ΔvapH°	43.16	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.280		Crippen Calculated Property
McVol	151.500	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[1203.00; 1203.00]
Inp	1203.00		NIST
Inp	1203.00		NIST
Tboil	505.45	K	Joback Calculated Property
Tc	700.19	K	Joback Calculated Property
Tfus	291.02	K	Joback Calculated Property
Vc	0.587	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.02; 422.29]	J/mol×K	[505.45; 700.19]
Cp,gas	346.02	J/mol×K	505.45	Joback Calculated Property
Cp,gas	360.58	J/mol×K	537.91	Joback Calculated Property
Cp,gas	374.36	J/mol×K	570.36	Joback Calculated Property
Cp,gas	387.39	J/mol×K	602.82	Joback Calculated Property
Cp,gas	399.71	J/mol×K	635.27	Joback Calculated Property
Cp,gas	411.33	J/mol×K	667.73	Joback Calculated Property
Cp,gas	422.29	J/mol×K	700.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Difluorobenzyl alcohol, tert.-butyl ether.

Sources

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

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