Chemical Properties of 2,3,6-Trifluorobenzyl alcohol, chlorodifluoroacetate

InChI

InChI=1S/C9H4ClF5O2/c10-9(14,15)8(16)17-3-4-5(11)1-2-6(12)7(4)13/h1-2H,3H2

InChI Key

LXIMEVJSBGTTGJ-UHFFFAOYSA-N

Formula

C9H4ClF5O2

SMILES

O=C(OCc1c(F)ccc(F)c1F)C(F)(F)Cl

Molecular Weight¹

274.57

• 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°	-1108.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1276.81	kJ/mol	Joback Calculated Property
ΔfusH°	26.91	kJ/mol	Joback Calculated Property
ΔvapH°	48.05	kJ/mol	Joback Calculated Property
log10WS	-4.01		Crippen Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	142.440	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1167.00; 1167.00]
Inp	1167.00		NIST
Inp	1167.00		NIST
Tboil	553.78	K	Joback Calculated Property
Tc	740.45	K	Joback Calculated Property
Tfus	362.62	K	Joback Calculated Property
Vc	0.584	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.60; 370.88]	J/mol×K	[553.78; 740.45]
Cp,gas	324.60	J/mol×K	553.78	Joback Calculated Property
Cp,gas	333.61	J/mol×K	584.89	Joback Calculated Property
Cp,gas	342.08	J/mol×K	616.00	Joback Calculated Property
Cp,gas	350.03	J/mol×K	647.11	Joback Calculated Property
Cp,gas	357.47	J/mol×K	678.22	Joback Calculated Property
Cp,gas	364.41	J/mol×K	709.34	Joback Calculated Property
Cp,gas	370.88	J/mol×K	740.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol, chlorodifluoroacetate.

Sources

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

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