Chemical Properties of Diethylmalonic acid, pentafluorobenzyl propyl ester

InChI

InChI=1S/C17H19F5O4/c1-4-7-25-15(23)17(5-2,6-3)16(24)26-8-9-10(18)12(20)14(22)13(21)11(9)19/h4-8H2,1-3H3

InChI Key

XCNMEECZLNVRAQ-UHFFFAOYSA-N

Formula

C17H19F5O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

382.32

• 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°	-1282.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1693.93	kJ/mol	Joback Calculated Property
ΔfusH°	45.44	kJ/mol	Joback Calculated Property
ΔvapH°	71.95	kJ/mol	Joback Calculated Property
log10WS	-5.68		Crippen Calculated Property
logPoct/wat	4.185		Crippen Calculated Property
McVol	250.360	ml/mol	McGowan Calculated Property
Pc	1363.65	kPa	Joback Calculated Property
Inp	[1709.00; 1709.00]
Inp	1709.00		NIST
Inp	1709.00		NIST
Tboil	785.64	K	Joback Calculated Property
Tc	971.07	K	Joback Calculated Property
Tfus	520.06	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.90; 806.79]	J/mol×K	[785.64; 971.07]
Cp,gas	740.90	J/mol×K	785.64	Joback Calculated Property
Cp,gas	753.91	J/mol×K	816.55	Joback Calculated Property
Cp,gas	766.10	J/mol×K	847.45	Joback Calculated Property
Cp,gas	777.47	J/mol×K	878.36	Joback Calculated Property
Cp,gas	788.04	J/mol×K	909.26	Joback Calculated Property
Cp,gas	797.81	J/mol×K	940.17	Joback Calculated Property
Cp,gas	806.79	J/mol×K	971.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentafluorobenzyl propyl ester.

Sources

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

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