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

InChI

InChI=1S/C15H21F7O4/c1-4-7-8-25-10(23)12(5-2,6-3)11(24)26-9-13(16,17)14(18,19)15(20,21)22/h4-9H2,1-3H3

InChI Key

QVGZVUXDHYKBQR-UHFFFAOYSA-N

Formula

C15H21F7O4

SMILES

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

Molecular Weight¹

398.31

• 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°	-1744.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-2250.30	kJ/mol	Joback Calculated Property
ΔfusH°	32.08	kJ/mol	Joback Calculated Property
ΔvapH°	56.39	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	4.512		Crippen Calculated Property
McVol	249.480	ml/mol	McGowan Calculated Property
Pc	1270.97	kPa	Joback Calculated Property
Inp	[1372.00; 1372.00]
Inp	1372.00		NIST
Inp	1372.00		NIST
Tboil	677.15	K	Joback Calculated Property
Tc	842.12	K	Joback Calculated Property
Tfus	416.94	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.15; 814.93]	J/mol×K	[677.15; 842.12]
Cp,gas	742.15	J/mol×K	677.15	Joback Calculated Property
Cp,gas	756.25	J/mol×K	704.64	Joback Calculated Property
Cp,gas	769.50	J/mol×K	732.14	Joback Calculated Property
Cp,gas	781.94	J/mol×K	759.63	Joback Calculated Property
Cp,gas	793.63	J/mol×K	787.13	Joback Calculated Property
Cp,gas	804.61	J/mol×K	814.62	Joback Calculated Property
Cp,gas	814.93	J/mol×K	842.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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