Chemical Properties of 4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate)

InChI

InChI=1S/C12H8F6O5/c1-21-8-4-6(5-22-9(19)11(13,14)15)2-3-7(8)23-10(20)12(16,17)18/h2-4H,5H2,1H3

InChI Key

PDIASPQUSUCDCN-UHFFFAOYSA-N

Formula

C12H8F6O5

SMILES

COc1cc(COC(=O)C(F)(F)F)ccc1OC(=O)C(F)(F)F

Molecular Weight¹

346.18

• 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°	-1592.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1893.40	kJ/mol	Joback Calculated Property
ΔfusH°	30.51	kJ/mol	Joback Calculated Property
ΔvapH°	59.13	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen Calculated Property
logPoct/wat	2.768		Crippen Calculated Property
McVol	187.550	ml/mol	McGowan Calculated Property
Pc	2018.13	kPa	Joback Calculated Property
Inp	[1335.00; 1335.00]
Inp	1335.00		NIST
Inp	1335.00		NIST
Tboil	674.76	K	Joback Calculated Property
Tc	858.51	K	Joback Calculated Property
Tfus	451.39	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.84; 567.64]	J/mol×K	[674.76; 858.51]
Cp,gas	514.84	J/mol×K	674.76	Joback Calculated Property
Cp,gas	525.37	J/mol×K	705.38	Joback Calculated Property
Cp,gas	535.19	J/mol×K	736.01	Joback Calculated Property
Cp,gas	544.30	J/mol×K	766.63	Joback Calculated Property
Cp,gas	552.74	J/mol×K	797.26	Joback Calculated Property
Cp,gas	560.51	J/mol×K	827.88	Joback Calculated Property
Cp,gas	567.64	J/mol×K	858.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-3-methoxybenzyl alcohol, bis(trifluoroacetate).

Sources

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

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