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

InChI

InChI=1S/C9H6ClF7O6/c10-8(13,14)6(19)23-4-3(20-1-2-21-4)22-5(18)7(11,12)9(15,16)17/h3-4H,1-2H2

InChI Key

YONGQMUYEMGJTO-UHFFFAOYSA-N

Formula

C9H6ClF7O6

SMILES

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

Molecular Weight¹

378.58

• 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	0.5321		Relay (1.0) Calculated Property
ΔfG°	-1965.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-2511.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.02	kJ/mol	Joback Calculated Property
ΔvapH°	79.55	kJ/mol	Relay (1.0) Calculated Property
IE	11.30	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	1.801		Crippen Calculated Property
McVol	178.060	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1145.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Tboil	469.27	K	Relay (1.0) Calculated Property
Tc	627.25	K	Relay (1.0) Calculated Property
Tfus	275.69	K	Relay (1.0) Calculated Property
Vc	0.702	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.28; 565.33]	J/mol×K	[649.31; 836.13]
Cp,gas	511.28	J/mol×K	649.31	Joback Calculated Property
Cp,gas	522.37	J/mol×K	680.45	Joback Calculated Property
Cp,gas	532.59	J/mol×K	711.58	Joback Calculated Property
Cp,gas	541.95	J/mol×K	742.72	Joback Calculated Property
Cp,gas	550.51	J/mol×K	773.86	Joback Calculated Property
Cp,gas	558.29	J/mol×K	804.99	Joback Calculated Property
Cp,gas	565.33	J/mol×K	836.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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