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

InChI

InChI=1S/C26H43F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21(34)23(5-2,6-3)22(35)37-20-24(27,28)25(29,30)26(31,32)33/h4-20H2,1-3H3

InChI Key

QUGIRALGMXDFMC-UHFFFAOYSA-N

Formula

C26H43F7O4

SMILES

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

Molecular Weight¹

552.61

• 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°	-1652.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2477.34	kJ/mol	Joback Calculated Property
ΔfusH°	60.57	kJ/mol	Joback Calculated Property
ΔvapH°	80.88	kJ/mol	Joback Calculated Property
log10WS	-9.48		Crippen Calculated Property
logPoct/wat	8.803		Crippen Calculated Property
McVol	404.470	ml/mol	McGowan Calculated Property
Pc	670.81	kPa	Joback Calculated Property
Inp	[2384.00; 2384.00]
Inp	2384.00		NIST
Inp	2384.00		NIST
Tboil	928.83	K	Joback Calculated Property
Tc	1149.91	K	Joback Calculated Property
Tfus	540.91	K	Joback Calculated Property
Vc	1.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1392.90; 1498.23]	J/mol×K	[928.83; 1149.91]
Cp,gas	1392.90	J/mol×K	928.83	Joback Calculated Property
Cp,gas	1413.30	J/mol×K	965.68	Joback Calculated Property
Cp,gas	1432.36	J/mol×K	1002.52	Joback Calculated Property
Cp,gas	1450.24	J/mol×K	1039.37	Joback Calculated Property
Cp,gas	1467.08	J/mol×K	1076.22	Joback Calculated Property
Cp,gas	1483.02	J/mol×K	1113.06	Joback Calculated Property
Cp,gas	1498.23	J/mol×K	1149.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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