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

InChI

InChI=1S/C27H44F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-38-22(36)24(5-2,6-3)23(37)39-20-25(30,31)27(34,35)26(32,33)21(28)29/h21H,4-20H2,1-3H3

InChI Key

UVWLCYJQDOYLHS-UHFFFAOYSA-N

Formula

C27H44F8O4

SMILES

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

Molecular Weight¹

584.62

• 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°	-1840.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-2699.37	kJ/mol	Joback Calculated Property
ΔfusH°	62.72	kJ/mol	Joback Calculated Property
ΔvapH°	81.90	kJ/mol	Joback Calculated Property
log10WS	-9.86		Crippen Calculated Property
logPoct/wat	9.141		Crippen Calculated Property
McVol	420.330	ml/mol	McGowan Calculated Property
Pc	626.88	kPa	Joback Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	950.54	K	Joback Calculated Property
Tc	1185.58	K	Joback Calculated Property
Tfus	537.77	K	Joback Calculated Property
Vc	1.690	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1463.45; 1573.82]	J/mol×K	[950.54; 1185.58]
Cp,gas	1463.45	J/mol×K	950.54	Joback Calculated Property
Cp,gas	1484.91	J/mol×K	989.71	Joback Calculated Property
Cp,gas	1504.90	J/mol×K	1028.89	Joback Calculated Property
Cp,gas	1523.60	J/mol×K	1068.06	Joback Calculated Property
Cp,gas	1541.20	J/mol×K	1107.23	Joback Calculated Property
Cp,gas	1557.87	J/mol×K	1146.41	Joback Calculated Property
Cp,gas	1573.82	J/mol×K	1185.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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