Chemical Properties of N-Acetyl-D-galactosaminitol, pentakis(trifluoroacetate)

InChI

InChI=1S/C18H12F15NO11/c1-4(35)34-5(2-41-9(36)14(19,20)21)7(44-12(39)17(28,29)30)8(45-13(40)18(31,32)33)6(43-11(38)16(25,26)27)3-42-10(37)15(22,23)24/h5-8H,2-3H2,1H3,(H,34,35)

InChI Key

QEVIVUVSMPUBDA-UHFFFAOYSA-N

Formula

C18H12F15NO11

SMILES

CC(=O)NC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Molecular Weight¹

703.26

• 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°	-4026.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-4704.48	kJ/mol	Joback Calculated Property
ΔfusH°	58.05	kJ/mol	Joback Calculated Property
ΔvapH°	94.34	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	2.124		Crippen Calculated Property
McVol	339.780	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[1394.30; 1394.30]
Inp	1394.30		NIST
Inp	1394.30		NIST
Tboil	1067.87	K	Joback Calculated Property
Tc	1359.21	K	Joback Calculated Property
Tfus	716.96	K	Joback Calculated Property
Vc	1.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1138.97; 1155.26]	J/mol×K	[1067.87; 1359.21]
Cp,gas	1138.97	J/mol×K	1067.87	Joback Calculated Property
Cp,gas	1145.17	J/mol×K	1116.43	Joback Calculated Property
Cp,gas	1149.68	J/mol×K	1164.98	Joback Calculated Property
Cp,gas	1152.71	J/mol×K	1213.54	Joback Calculated Property
Cp,gas	1154.50	J/mol×K	1262.10	Joback Calculated Property
Cp,gas	1155.26	J/mol×K	1310.65	Joback Calculated Property
Cp,gas	1155.21	J/mol×K	1359.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-Acetyl-D-galactosaminitol, pentakis(trifluoroacetate).

Sources

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

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