Chemical Properties of 2,3,6-Trifluorobenzyl alcohol, n-butyl ether

InChI

InChI=1S/C11H13F3O/c1-2-3-6-15-7-8-9(12)4-5-10(13)11(8)14/h4-5H,2-3,6-7H2,1H3

InChI Key

LRYVYEFFMRRREF-UHFFFAOYSA-N

Formula

C11H13F3O

SMILES

CCCCOCc1c(F)ccc(F)c1F

Molecular Weight¹

218.22

• 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°	-564.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-788.80	kJ/mol	Joback Calculated Property
ΔfusH°	27.55	kJ/mol	Joback Calculated Property
ΔvapH°	44.30	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.421		Crippen Calculated Property
McVol	153.270	ml/mol	McGowan Calculated Property
Pc	2183.60	kPa	Joback Calculated Property
Inp	[1247.00; 1247.00]
Inp	1247.00		NIST
Inp	1247.00		NIST
Tboil	512.93	K	Joback Calculated Property
Tc	689.06	K	Joback Calculated Property
Tfus	301.71	K	Joback Calculated Property
Vc	0.616	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.51; 419.67]	J/mol×K	[512.93; 689.06]
Cp,gas	351.51	J/mol×K	512.93	Joback Calculated Property
Cp,gas	364.10	J/mol×K	542.28	Joback Calculated Property
Cp,gas	376.20	J/mol×K	571.64	Joback Calculated Property
Cp,gas	387.79	J/mol×K	600.99	Joback Calculated Property
Cp,gas	398.90	J/mol×K	630.35	Joback Calculated Property
Cp,gas	409.52	J/mol×K	659.70	Joback Calculated Property
Cp,gas	419.67	J/mol×K	689.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol, n-butyl ether.

Sources

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

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