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

InChI

InChI=1S/C25H41F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-35-20(33)22(5-2,6-3)21(34)36-19-23(26,27)24(28,29)25(30,31)32/h4-19H2,1-3H3

InChI Key

FXJKTIMAWRGRBA-UHFFFAOYSA-N

Formula

C25H41F7O4

SMILES

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

Molecular Weight¹

538.58

• 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°	-1660.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2456.70	kJ/mol	Joback Calculated Property
ΔfusH°	57.98	kJ/mol	Joback Calculated Property
ΔvapH°	78.65	kJ/mol	Joback Calculated Property
log10WS	-9.06		Crippen Calculated Property
logPoct/wat	8.413		Crippen Calculated Property
McVol	390.380	ml/mol	McGowan Calculated Property
Pc	705.46	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	905.95	K	Joback Calculated Property
Tc	1117.10	K	Joback Calculated Property
Tfus	529.64	K	Joback Calculated Property
Vc	1.565	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1330.13; 1430.81]	J/mol×K	[905.95; 1117.10]
Cp,gas	1330.13	J/mol×K	905.95	Joback Calculated Property
Cp,gas	1349.64	J/mol×K	941.14	Joback Calculated Property
Cp,gas	1367.88	J/mol×K	976.33	Joback Calculated Property
Cp,gas	1384.99	J/mol×K	1011.52	Joback Calculated Property
Cp,gas	1401.10	J/mol×K	1046.72	Joback Calculated Property
Cp,gas	1416.33	J/mol×K	1081.91	Joback Calculated Property
Cp,gas	1430.81	J/mol×K	1117.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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