Chemical Properties of D-(+)-Xylopyranose, tetrakis(trifluoroacetate) (isomer 1)

InChI

InChI=1S/C13H6F12O9/c14-10(15,16)6(26)31-2-1-30-5(34-9(29)13(23,24)25)4(33-8(28)12(20,21)22)3(2)32-7(27)11(17,18)19/h2-5H,1H2

InChI Key

ZHQMHGFJNVQNHH-UHFFFAOYSA-N

Formula

C13H6F12O9

SMILES

O=C(OC1COC(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

534.16

• 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°	-3288.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-3817.87	kJ/mol	Joback Calculated Property
ΔfusH°	50.91	kJ/mol	Joback Calculated Property
ΔvapH°	70.18	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	1.871		Crippen Calculated Property
McVol	240.040	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[1043.20; 1043.20]
Inp	1043.20		NIST
Inp	1043.20		NIST
Tboil	812.81	K	Joback Calculated Property
Tc	996.58	K	Joback Calculated Property
Tfus	562.90	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.14; 834.91]	J/mol×K	[812.81; 996.58]
Cp,gas	792.14	J/mol×K	812.81	Joback Calculated Property
Cp,gas	801.74	J/mol×K	843.44	Joback Calculated Property
Cp,gas	810.31	J/mol×K	874.07	Joback Calculated Property
Cp,gas	817.89	J/mol×K	904.69	Joback Calculated Property
Cp,gas	824.49	J/mol×K	935.32	Joback Calculated Property
Cp,gas	830.16	J/mol×K	965.95	Joback Calculated Property
Cp,gas	834.91	J/mol×K	996.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-(+)-Xylopyranose, tetrakis(trifluoroacetate) (isomer 1).

Sources

• 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.