Chemical Properties of 1,4-Dioxane-2,3-diol, chlorodifluoroacetate, heptafluorobutyrate

InChI

InChI=1S/C10H6ClF9O6/c11-8(14,15)6(22)26-4-3(23-1-2-24-4)25-5(21)7(12,13)9(16,17)10(18,19)20/h3-4H,1-2H2

InChI Key

DCXLEOJHCZHVPA-UHFFFAOYSA-N

Formula

C10H6ClF9O6

SMILES

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

Molecular Weight¹

428.59

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5762		Relay (1.0) Calculated Property
ΔfG°	-2343.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-2926.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.35	kJ/mol	Joback Calculated Property
ΔvapH°	82.07	kJ/mol	Relay (1.0) Calculated Property
IE	11.28	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	2.436		Crippen Calculated Property
McVol	195.690	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
Tboil	480.77	K	Relay (1.0) Calculated Property
Tc	632.44	K	Relay (1.0) Calculated Property
Tfus	268.70	K	Relay (1.0) Calculated Property
Vc	0.773	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.66; 633.52]	J/mol×K	[667.50; 847.81]
Cp,gas	580.66	J/mol×K	667.50	Joback Calculated Property
Cp,gas	591.59	J/mol×K	697.55	Joback Calculated Property
Cp,gas	601.61	J/mol×K	727.60	Joback Calculated Property
Cp,gas	610.77	J/mol×K	757.65	Joback Calculated Property
Cp,gas	619.10	J/mol×K	787.70	Joback Calculated Property
Cp,gas	626.67	J/mol×K	817.76	Joback Calculated Property
Cp,gas	633.52	J/mol×K	847.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2,3-diol, chlorodifluoroacetate, heptafluorobutyrate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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