Chemical Properties of 2-(2-Hydroxyethoxy)phenol, bis(trifluoroacetate)

InChI

InChI=1S/C12H8F6O5/c13-11(14,15)9(19)22-6-5-21-7-3-1-2-4-8(7)23-10(20)12(16,17)18/h1-4H,5-6H2

InChI Key

TVWIAUGNKIYKJD-UHFFFAOYSA-N

Formula

C12H8F6O5

SMILES

O=C(OCCOc1ccccc1OC(=O)C(F)(F)F)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°	-1583.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1881.93	kJ/mol	Joback Calculated Property
ΔfusH°	30.90	kJ/mol	Joback Calculated Property
ΔvapH°	58.47	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	2.639		Crippen Calculated Property
McVol	187.550	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[1355.00; 1355.00]
Inp	1355.00		NIST
Inp	1355.00		NIST
Tboil	669.78	K	Joback Calculated Property
Tc	852.67	K	Joback Calculated Property
Tfus	438.87	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.01; 569.44]	J/mol×K	[669.78; 852.67]
Cp,gas	516.01	J/mol×K	669.78	Joback Calculated Property
Cp,gas	526.69	J/mol×K	700.26	Joback Calculated Property
Cp,gas	536.63	J/mol×K	730.74	Joback Calculated Property
Cp,gas	545.86	J/mol×K	761.22	Joback Calculated Property
Cp,gas	554.39	J/mol×K	791.70	Joback Calculated Property
Cp,gas	562.24	J/mol×K	822.19	Joback Calculated Property
Cp,gas	569.44	J/mol×K	852.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-Hydroxyethoxy)phenol, bis(trifluoroacetate).

Sources

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

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