Chemical Properties of Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester

InChI

InChI=1S/C17H25F7O4/c1-4-7-8-9-10-27-12(25)14(5-2,6-3)13(26)28-11-15(18,19)16(20,21)17(22,23)24/h4-11H2,1-3H3

InChI Key

YFFDZADHXZSOEL-UHFFFAOYSA-N

Formula

C17H25F7O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

426.37

• 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°	-1727.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-2291.58	kJ/mol	Joback Calculated Property
ΔfusH°	37.26	kJ/mol	Joback Calculated Property
ΔvapH°	60.84	kJ/mol	Joback Calculated Property
log10WS	-5.71		Crippen Calculated Property
logPoct/wat	5.292		Crippen Calculated Property
McVol	277.660	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[1543.00; 1543.00]
Inp	1543.00		NIST
Inp	1543.00		NIST
Tboil	722.91	K	Joback Calculated Property
Tc	891.17	K	Joback Calculated Property
Tfus	439.48	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[852.81; 929.77]	J/mol×K	[722.91; 891.17]
Cp,gas	852.81	J/mol×K	722.91	Joback Calculated Property
Cp,gas	867.68	J/mol×K	750.95	Joback Calculated Property
Cp,gas	881.67	J/mol×K	779.00	Joback Calculated Property
Cp,gas	894.82	J/mol×K	807.04	Joback Calculated Property
Cp,gas	907.18	J/mol×K	835.08	Joback Calculated Property
Cp,gas	918.82	J/mol×K	863.12	Joback Calculated Property
Cp,gas	929.77	J/mol×K	891.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester.

Sources

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

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