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

InChI

InChI=1S/C22H35F7O4/c1-4-7-8-9-10-11-12-13-14-15-32-17(30)19(5-2,6-3)18(31)33-16-20(23,24)21(25,26)22(27,28)29/h4-16H2,1-3H3

InChI Key

DLGBJOVABFAHOP-UHFFFAOYSA-N

Formula

C22H35F7O4

SMILES

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

Molecular Weight¹

496.50

• 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°	-1685.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-2394.78	kJ/mol	Joback Calculated Property
ΔfusH°	50.21	kJ/mol	Joback Calculated Property
ΔvapH°	71.97	kJ/mol	Joback Calculated Property
log10WS	-7.81		Crippen Calculated Property
logPoct/wat	7.243		Crippen Calculated Property
McVol	348.110	ml/mol	McGowan Calculated Property
Pc	827.16	kPa	Joback Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	837.31	K	Joback Calculated Property
Tc	1025.58	K	Joback Calculated Property
Tfus	495.83	K	Joback Calculated Property
Vc	1.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1145.55; 1235.12]	J/mol×K	[837.31; 1025.58]
Cp,gas	1145.55	J/mol×K	837.31	Joback Calculated Property
Cp,gas	1162.87	J/mol×K	868.69	Joback Calculated Property
Cp,gas	1179.13	J/mol×K	900.07	Joback Calculated Property
Cp,gas	1194.40	J/mol×K	931.45	Joback Calculated Property
Cp,gas	1208.77	J/mol×K	962.83	Joback Calculated Property
Cp,gas	1222.31	J/mol×K	994.21	Joback Calculated Property
Cp,gas	1235.12	J/mol×K	1025.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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