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

InChI

InChI=1S/C21H33F7O4/c1-4-7-8-9-10-11-12-13-14-31-16(29)18(5-2,6-3)17(30)32-15-19(22,23)20(24,25)21(26,27)28/h4-15H2,1-3H3

InChI Key

DQCYAWQCXJMHAF-UHFFFAOYSA-N

Formula

C21H33F7O4

SMILES

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

Molecular Weight¹

482.47

• 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°	-1694.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-2374.14	kJ/mol	Joback Calculated Property
ΔfusH°	47.62	kJ/mol	Joback Calculated Property
ΔvapH°	69.75	kJ/mol	Joback Calculated Property
log10WS	-7.39		Crippen Calculated Property
logPoct/wat	6.853		Crippen Calculated Property
McVol	334.020	ml/mol	McGowan Calculated Property
Pc	874.80	kPa	Joback Calculated Property
Inp	[1904.00; 1904.00]
Inp	1904.00		NIST
Inp	1904.00		NIST
Tboil	814.43	K	Joback Calculated Property
Tc	997.09	K	Joback Calculated Property
Tfus	484.56	K	Joback Calculated Property
Vc	1.341	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1085.38; 1172.00]	J/mol×K	[814.43; 997.09]
Cp,gas	1085.38	J/mol×K	814.43	Joback Calculated Property
Cp,gas	1102.13	J/mol×K	844.87	Joback Calculated Property
Cp,gas	1117.85	J/mol×K	875.32	Joback Calculated Property
Cp,gas	1132.62	J/mol×K	905.76	Joback Calculated Property
Cp,gas	1146.52	J/mol×K	936.20	Joback Calculated Property
Cp,gas	1159.62	J/mol×K	966.65	Joback Calculated Property
Cp,gas	1172.00	J/mol×K	997.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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