Chemical Properties of Diethylmalonic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

InChI

InChI=1S/C17H16F16O4/c1-3-11(4-2,9(34)36-5-12(22,23)16(30,31)14(26,27)7(18)19)10(35)37-6-13(24,25)17(32,33)15(28,29)8(20)21/h7-8H,3-6H2,1-2H3

InChI Key

UARSSTLFGUXQGB-UHFFFAOYSA-N

Formula

C17H16F16O4

SMILES

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

Molecular Weight¹

588.28

• 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°	-3477.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-4093.38	kJ/mol	Joback Calculated Property
ΔfusH°	35.70	kJ/mol	Joback Calculated Property
ΔvapH°	48.83	kJ/mol	Joback Calculated Property
log10WS	-6.93		Crippen Calculated Property
logPoct/wat	6.221		Crippen Calculated Property
McVol	293.590	ml/mol	McGowan Calculated Property
Pc	902.34	kPa	Joback Calculated Property
Inp	[1395.00; 1395.00]
Inp	1395.00		NIST
Inp	1395.00		NIST
Tboil	705.77	K	Joback Calculated Property
Tc	864.21	K	Joback Calculated Property
Tfus	422.05	K	Joback Calculated Property
Vc	1.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.68; 996.56]	J/mol×K	[705.77; 864.21]
Cp,gas	930.68	J/mol×K	705.77	Joback Calculated Property
Cp,gas	943.77	J/mol×K	732.18	Joback Calculated Property
Cp,gas	955.91	J/mol×K	758.58	Joback Calculated Property
Cp,gas	967.20	J/mol×K	784.99	Joback Calculated Property
Cp,gas	977.68	J/mol×K	811.40	Joback Calculated Property
Cp,gas	987.45	J/mol×K	837.80	Joback Calculated Property
Cp,gas	996.56	J/mol×K	864.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester.

Sources

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

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