Chemical Properties of D-(-)-Tagatopyranose, pentakis(trifluoroacetate) (isomer 1)

InChI

InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-2-11(42-10(36)16(29,30)31)5(41-9(35)15(26,27)28)4(40-8(34)14(23,24)25)3(1-38-11)39-7(33)13(20,21)22/h3-5H,1-2H2

InChI Key

TVXVQZUZYLRUBY-UHFFFAOYSA-N

Formula

C16H7F15O11

SMILES

O=C(OCC1(OC(=O)C(F)(F)F)OCC(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)C(F)(F)F

Molecular Weight¹

660.20

• 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°	-4084.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-4706.43	kJ/mol	Joback Calculated Property
ΔfusH°	56.99	kJ/mol	Joback Calculated Property
ΔvapH°	81.12	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	2.346		Crippen Calculated Property
McVol	295.060	ml/mol	McGowan Calculated Property
Pc	1139.80	kPa	Joback Calculated Property
Inp	[1048.40; 1048.40]
Inp	1048.40		NIST
Inp	1048.40		NIST
Tboil	952.56	K	Joback Calculated Property
Tc	1173.44	K	Joback Calculated Property
Tfus	696.96	K	Joback Calculated Property
Vc	1.216	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.67; 1074.39]	J/mol×K	[952.56; 1173.44]
Cp,gas	1013.67	J/mol×K	952.56	Joback Calculated Property
Cp,gas	1024.63	J/mol×K	989.37	Joback Calculated Property
Cp,gas	1035.04	J/mol×K	1026.19	Joback Calculated Property
Cp,gas	1045.07	J/mol×K	1063.00	Joback Calculated Property
Cp,gas	1054.87	J/mol×K	1099.82	Joback Calculated Property
Cp,gas	1064.59	J/mol×K	1136.63	Joback Calculated Property
Cp,gas	1074.39	J/mol×K	1173.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-(-)-Tagatopyranose, pentakis(trifluoroacetate) (isomer 1).

Sources

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

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