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

InChI

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

InChI Key

AURQWSMUOSUHQX-UHFFFAOYSA-N

Formula

C12H8F6O5

SMILES

COc1ccc(COC(=O)C(F)(F)F)cc1OC(=O)C(F)(F)F

Molecular Weight¹

346.18

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6954		Relay (... Calculated Property
ΔfG°	-1592.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1943.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	30.51	kJ/mol	Joback Calculated Property
ΔvapH°	77.39	kJ/mol	Relay (... Calculated Property
IE	8.95	eV	Relay (... Calculated Property
log10WS	-3.82		Relay (... 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	[1353.00; 1353.00]
Inp	1353.00		NIST
Inp	1353.00		NIST
Tboil	508.57	K	Relay (... Calculated Property
Tc	696.28	K	Relay (... Calculated Property
Tfus	317.07	K	Relay (... Calculated Property
Vc	0.706	m3/kmol	Relay (... 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 3-Hydroxy-4-methoxybenzyl alcohol, di(trifluoroacetate).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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