Chemical Properties of 1,4-Dioxane-2,3-diol, bis(chlorodifluoroacetate)

InChI

InChI=1S/C8H6Cl2F4O6/c9-7(11,12)5(15)19-3-4(18-2-1-17-3)20-6(16)8(10,13)14/h3-4H,1-2H2

InChI Key

OTKVBLJKNZUMKM-UHFFFAOYSA-N

Formula

C8H6Cl2F4O6

SMILES

O=C(OC1OCCOC1OC(=O)C(F)(F)Cl)C(F)(F)Cl

Molecular Weight¹

345.03

• 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°	-1404.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1761.49	kJ/mol	Joback Calculated Property
ΔfusH°	36.80	kJ/mol	Joback Calculated Property
ΔvapH°	63.76	kJ/mol	Joback Calculated Property
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	1.435		Crippen Calculated Property
McVol	170.900	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
Inp	[1297.00; 1297.00]
Inp	1297.00		NIST
Inp	1297.00		NIST
Tboil	669.28	K	Joback Calculated Property
Tc	876.18	K	Joback Calculated Property
Tfus	447.56	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.34; 508.99]	J/mol×K	[669.28; 876.18]
Cp,gas	458.34	J/mol×K	669.28	Joback Calculated Property
Cp,gas	468.95	J/mol×K	703.76	Joback Calculated Property
Cp,gas	478.66	J/mol×K	738.25	Joback Calculated Property
Cp,gas	487.49	J/mol×K	772.73	Joback Calculated Property
Cp,gas	495.47	J/mol×K	807.21	Joback Calculated Property
Cp,gas	502.63	J/mol×K	841.70	Joback Calculated Property
Cp,gas	508.99	J/mol×K	876.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2,3-diol, bis(chlorodifluoroacetate).

Sources

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

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