Chemical Properties of 1-Chloro-1-deoxytagatose, tetrakis(trifluoroacetate), methyloxime

InChI

InChI=1S/C15H10ClF12NO9/c1-34-29-4(2-16)6(37-10(32)14(23,24)25)7(38-11(33)15(26,27)28)5(36-9(31)13(20,21)22)3-35-8(30)12(17,18)19/h5-7H,2-3H2,1H3

InChI Key

FCKRVLAPGXEFND-UHFFFAOYSA-N

Formula

C15H10ClF12NO9

SMILES

CON=C(CCl)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

611.67

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-3811.82	kJ/mol	Joback Calculated Property
ΔvapH°	79.64	kJ/mol	Joback Calculated Property
log10WS	-3.93		Crippen Calculated Property
logPoct/wat	2.755		Crippen Calculated Property
McVol	297.000	ml/mol	McGowan Calculated Property
Pc	1062.40	kPa	Joback Calculated Property
Inp	[1262.30; 1262.30]
Inp	1262.30		NIST
Inp	1262.30		NIST
Tboil	961.17	K	Joback Calculated Property
Tc	1182.36	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-1-deoxytagatose, tetrakis(trifluoroacetate), methyloxime.

Sources

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

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