Chemical Properties of Diethylmalonic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C32H54F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-43-27(41)29(5-2,6-3)28(42)44-25-30(35,36)32(39,40)31(37,38)26(33)34/h26H,4-25H2,1-3H3

InChI Key

WZMRWNMWDNPDTQ-UHFFFAOYSA-N

Formula

C32H54F8O4

SMILES

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

Molecular Weight¹

654.76

• 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°	-1798.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-2802.57	kJ/mol	Joback Calculated Property
ΔfusH°	75.67	kJ/mol	Joback Calculated Property
ΔvapH°	93.03	kJ/mol	Joback Calculated Property
log10WS	-11.96		Crippen Calculated Property
logPoct/wat	11.092		Crippen Calculated Property
McVol	490.780	ml/mol	McGowan Calculated Property
Pc	499.58	kPa	Joback Calculated Property
Inp	[2995.00; 2995.00]
Inp	2995.00		NIST
Inp	2995.00		NIST
Tboil	1064.94	K	Joback Calculated Property
Tc	1383.70	K	Joback Calculated Property
Tfus	594.12	K	Joback Calculated Property
Vc	1.970	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1786.84; 1939.53]	J/mol×K	[1064.94; 1383.70]
Cp,gas	1786.84	J/mol×K	1064.94	Joback Calculated Property
Cp,gas	1815.57	J/mol×K	1118.07	Joback Calculated Property
Cp,gas	1842.30	J/mol×K	1171.19	Joback Calculated Property
Cp,gas	1867.54	J/mol×K	1224.32	Joback Calculated Property
Cp,gas	1891.82	J/mol×K	1277.45	Joback Calculated Property
Cp,gas	1915.64	J/mol×K	1330.58	Joback Calculated Property
Cp,gas	1939.53	J/mol×K	1383.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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