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

• 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	0.6307		Relay (... Calculated Property
ΔfG°	-2494.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-3112.78	kJ/mol	Relay (... Calculated Property
ΔfusH°	51.92	kJ/mol	Joback Calculated Property
ΔvapH°	95.09	kJ/mol	Relay (... Calculated Property
IE	11.27	eV	Relay (... Calculated Property
log10WS	-4.02		Relay (... 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	511.99	K	Relay (... Calculated Property
Tc	714.13	K	Relay (... Calculated Property
Tfus	394.59	K	Relay (... Calculated Property
Vc	0.845	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.