Chemical Properties of 1,6-Anhydro-«beta»-D-glucose, tris(trifluoroacetate)

InChI

InChI=1S/C12H7F9O8/c13-10(14,15)7(22)27-3-2-1-25-6(26-2)5(29-9(24)12(19,20)21)4(3)28-8(23)11(16,17)18/h2-6H,1H2

InChI Key

HZWRZZOGPUMZBK-UHFFFAOYSA-N

Formula

C12H7F9O8

SMILES

O=C(OC1C2COC(O2)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

450.16

• 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°	-2494.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-3008.39	kJ/mol	Joback Calculated Property
ΔfusH°	51.92	kJ/mol	Joback Calculated Property
ΔvapH°	66.80	kJ/mol	Joback Calculated Property
log10WS	-2.44		Crippen Calculated Property
logPoct/wat	1.164		Crippen Calculated Property
McVol	208.210	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[1179.20; 1179.20]
Inp	1179.20		NIST
Inp	1179.20		NIST
Tboil	748.48	K	Joback Calculated Property
Tc	929.50	K	Joback Calculated Property
Tfus	523.31	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.52; 737.59]	J/mol×K	[748.48; 929.50]
Cp,gas	684.52	J/mol×K	748.48	Joback Calculated Property
Cp,gas	695.46	J/mol×K	778.65	Joback Calculated Property
Cp,gas	705.50	J/mol×K	808.82	Joback Calculated Property
Cp,gas	714.70	J/mol×K	838.99	Joback Calculated Property
Cp,gas	723.09	J/mol×K	869.16	Joback Calculated Property
Cp,gas	730.71	J/mol×K	899.33	Joback Calculated Property
Cp,gas	737.59	J/mol×K	929.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Anhydro-«beta»-D-glucose, tris(trifluoroacetate).

Sources

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

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