Chemical Properties of Diethylmalonic acid, dipentafluorophenyl ester

InChI

InChI=1S/C19H10F10O4/c1-3-19(4-2,17(30)32-15-11(26)7(22)5(20)8(23)12(15)27)18(31)33-16-13(28)9(24)6(21)10(25)14(16)29/h3-4H2,1-2H3

InChI Key

IFIFPJPMGPOFLS-UHFFFAOYSA-N

Formula

C19H10F10O4

SMILES

CCC(CC)(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

492.26

• 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°	-2175.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-2536.58	kJ/mol	Joback Calculated Property
ΔfusH°	58.12	kJ/mol	Joback Calculated Property
ΔvapH°	77.91	kJ/mol	Joback Calculated Property
log10WS	-8.08		Crippen Calculated Property
logPoct/wat	5.395		Crippen Calculated Property
McVol	263.630	ml/mol	McGowan Calculated Property
Pc	1214.90	kPa	Joback Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	879.33	K	Joback Calculated Property
Tc	1076.96	K	Joback Calculated Property
Tfus	634.57	K	Joback Calculated Property
Vc	1.101	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[787.44; 833.14]	J/mol×K	[879.33; 1076.96]
Cp,gas	787.44	J/mol×K	879.33	Joback Calculated Property
Cp,gas	797.38	J/mol×K	912.27	Joback Calculated Property
Cp,gas	806.39	J/mol×K	945.21	Joback Calculated Property
Cp,gas	814.47	J/mol×K	978.14	Joback Calculated Property
Cp,gas	821.61	J/mol×K	1011.08	Joback Calculated Property
Cp,gas	827.84	J/mol×K	1044.02	Joback Calculated Property
Cp,gas	833.14	J/mol×K	1076.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dipentafluorophenyl ester.

Sources

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

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