Chemical Properties of Diethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C26H45F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34-22(32)24(5-2,6-3)23(33)35-21-25(27,28)26(29,30)31/h4-21H2,1-3H3

InChI Key

FWVAASZGORSNLU-UHFFFAOYSA-N

Formula

C26H45F5O4

SMILES

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

Molecular Weight¹

516.63

• 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°	-1265.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-2076.37	kJ/mol	Joback Calculated Property
ΔfusH°	61.83	kJ/mol	Joback Calculated Property
ΔvapH°	83.81	kJ/mol	Joback Calculated Property
log10WS	-9.17		Crippen Calculated Property
logPoct/wat	8.558		Crippen Calculated Property
McVol	400.930	ml/mol	McGowan Calculated Property
Pc	696.18	kPa	Joback Calculated Property
Inp	[2400.00; 2400.00]
Inp	2400.00		NIST
Inp	2400.00		NIST
Tboil	933.52	K	Joback Calculated Property
Tc	1153.14	K	Joback Calculated Property
Tfus	537.31	K	Joback Calculated Property
Vc	1.597	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1379.09; 1484.19]	J/mol×K	[933.52; 1153.14]
Cp,gas	1379.09	J/mol×K	933.52	Joback Calculated Property
Cp,gas	1399.71	J/mol×K	970.12	Joback Calculated Property
Cp,gas	1418.92	J/mol×K	1006.73	Joback Calculated Property
Cp,gas	1436.85	J/mol×K	1043.33	Joback Calculated Property
Cp,gas	1453.63	J/mol×K	1079.93	Joback Calculated Property
Cp,gas	1469.36	J/mol×K	1116.54	Joback Calculated Property
Cp,gas	1484.19	J/mol×K	1153.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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