Chemical Properties of 3,4-Difluorobenzyl alcohol, n-butyl ether

InChI

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

InChI Key

SIHLXRRKYKEXBK-UHFFFAOYSA-N

Formula

C11H14F2O

SMILES

CCCCOCc1ccc(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°	-359.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.86	kJ/mol	Joback Calculated Property
ΔvapH°	44.46	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.281		Crippen Calculated Property
McVol	151.500	ml/mol	McGowan Calculated Property
Pc	2311.39	kPa	Joback Calculated Property
Inp	[1275.00; 1275.00]
Inp	1275.00		NIST
Inp	1275.00		NIST
Tboil	508.68	K	Joback Calculated Property
Tc	692.23	K	Joback Calculated Property
Tfus	288.60	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.96; 415.50]	J/mol×K	[508.68; 692.23]
Cp,gas	342.96	J/mol×K	508.68	Joback Calculated Property
Cp,gas	356.47	J/mol×K	539.27	Joback Calculated Property
Cp,gas	369.40	J/mol×K	569.86	Joback Calculated Property
Cp,gas	381.76	J/mol×K	600.46	Joback Calculated Property
Cp,gas	393.56	J/mol×K	631.05	Joback Calculated Property
Cp,gas	404.80	J/mol×K	661.64	Joback Calculated Property
Cp,gas	415.50	J/mol×K	692.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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