Chemical Properties of 2-Butene-1,4-diol, O-chlorodifluoroacetate-O'-heptafluorobutyrate-

InChI

InChI=1S/C10H6ClF9O4/c11-8(14,15)6(22)24-4-2-1-3-23-5(21)7(12,13)9(16,17)10(18,19)20/h1-2H,3-4H2/b2-1+

InChI Key

YNSJANUQLBTQFW-OWOJBTEDSA-N

Formula

C10H6ClF9O4

SMILES

O=C(OCC=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)Cl

Molecular Weight¹

396.59

• 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°	-2108.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-2437.84	kJ/mol	Joback Calculated Property
ΔfusH°	29.69	kJ/mol	Joback Calculated Property
ΔvapH°	47.97	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.293		Crippen Calculated Property
McVol	190.510	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[1140.00; 1140.00]
Inp	1140.00		NIST
Inp	1140.00		NIST
Tboil	602.88	K	Joback Calculated Property
Tc	765.87	K	Joback Calculated Property
Tfus	386.61	K	Joback Calculated Property
Vc	0.790	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.75; 557.68]	J/mol×K	[602.88; 765.87]
Cp,gas	509.75	J/mol×K	602.88	Joback Calculated Property
Cp,gas	519.40	J/mol×K	630.04	Joback Calculated Property
Cp,gas	528.33	J/mol×K	657.21	Joback Calculated Property
Cp,gas	536.58	J/mol×K	684.37	Joback Calculated Property
Cp,gas	544.19	J/mol×K	711.54	Joback Calculated Property
Cp,gas	551.21	J/mol×K	738.70	Joback Calculated Property
Cp,gas	557.68	J/mol×K	765.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene-1,4-diol, O-chlorodifluoroacetate-O'-heptafluorobutyrate-.

Sources

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

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