Chemical Properties of 1,6-Anhydro-2,3-O-isopropylidene-«beta»-D-mannopyranose, trifluoroacetate

InChI

InChI=1S/C11H13F3O6/c1-10(2)19-6-5(18-9(15)11(12,13)14)4-3-16-8(17-4)7(6)20-10/h4-8H,3H2,1-2H3

InChI Key

UVHBEMIQJSSZLB-UHFFFAOYSA-N

Formula

C11H13F3O6

SMILES

CC1(C)OC2C3OCC(O3)C(OC(=O)C(F)(F)F)C2O1

Molecular Weight¹

298.21

• 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°	-988.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1479.95	kJ/mol	Joback Calculated Property
ΔfusH°	47.89	kJ/mol	Joback Calculated Property
ΔvapH°	61.53	kJ/mol	Joback Calculated Property
log10WS	-1.65		Crippen Calculated Property
logPoct/wat	0.736		Crippen Calculated Property
McVol	169.500	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[1343.60; 1343.60]
Inp	1343.60		NIST
Inp	1343.60		NIST
Tboil	644.74	K	Joback Calculated Property
Tc	852.01	K	Joback Calculated Property
Tfus	454.32	K	Joback Calculated Property
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.14; 614.99]	J/mol×K	[644.74; 852.01]
Cp,gas	534.14	J/mol×K	644.74	Joback Calculated Property
Cp,gas	549.55	J/mol×K	679.28	Joback Calculated Property
Cp,gas	563.99	J/mol×K	713.83	Joback Calculated Property
Cp,gas	577.62	J/mol×K	748.37	Joback Calculated Property
Cp,gas	590.57	J/mol×K	782.92	Joback Calculated Property
Cp,gas	602.98	J/mol×K	817.46	Joback Calculated Property
Cp,gas	614.99	J/mol×K	852.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Anhydro-2,3-O-isopropylidene-«beta»-D-mannopyranose, trifluoroacetate.

Sources

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

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