Chemical Properties of 3-Hydroxybenzyl alcohol, bis(trifluoroacetate)

InChI

InChI=1S/C11H6F6O4/c12-10(13,14)8(18)20-5-6-2-1-3-7(4-6)21-9(19)11(15,16)17/h1-4H,5H2

InChI Key

OHASXCZQAZMRJR-UHFFFAOYSA-N

Formula

C11H6F6O4

SMILES

O=C(OCc1cccc(OC(=O)C(F)(F)F)c1)C(F)(F)F

Molecular Weight¹

316.15

• 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°	-1486.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1729.07	kJ/mol	Joback Calculated Property
ΔfusH°	27.12	kJ/mol	Joback Calculated Property
ΔvapH°	53.84	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	2.760		Crippen Calculated Property
McVol	167.590	ml/mol	McGowan Calculated Property
Pc	2271.90	kPa	Joback Calculated Property
Inp	[1165.00; 1165.00]
Inp	1165.00		NIST
Inp	1165.00		NIST
Tboil	624.48	K	Joback Calculated Property
Tc	809.32	K	Joback Calculated Property
Tfus	405.37	K	Joback Calculated Property
Vc	0.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.65; 494.35]	J/mol×K	[624.48; 809.32]
Cp,gas	442.65	J/mol×K	624.48	Joback Calculated Property
Cp,gas	453.00	J/mol×K	655.29	Joback Calculated Property
Cp,gas	462.62	J/mol×K	686.09	Joback Calculated Property
Cp,gas	471.54	J/mol×K	716.90	Joback Calculated Property
Cp,gas	479.78	J/mol×K	747.71	Joback Calculated Property
Cp,gas	487.37	J/mol×K	778.52	Joback Calculated Property
Cp,gas	494.35	J/mol×K	809.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxybenzyl alcohol, bis(trifluoroacetate).

Sources

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

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