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

InChI

InChI=1S/C18H29F5O4/c1-4-7-8-9-10-11-12-26-14(24)16(5-2,6-3)15(25)27-13-17(19,20)18(21,22)23/h4-13H2,1-3H3

InChI Key

JZZGUSXKLJMZGZ-UHFFFAOYSA-N

Formula

C18H29F5O4

SMILES

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

Molecular Weight¹

404.41

• 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°	-1332.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1911.25	kJ/mol	Joback Calculated Property
ΔfusH°	41.11	kJ/mol	Joback Calculated Property
ΔvapH°	66.00	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	5.437		Crippen Calculated Property
McVol	288.210	ml/mol	McGowan Calculated Property
Pc	1094.99	kPa	Joback Calculated Property
Inp	[1621.00; 1621.00]
Inp	1621.00		NIST
Inp	1621.00		NIST
Tboil	750.48	K	Joback Calculated Property
Tc	923.72	K	Joback Calculated Property
Tfus	447.15	K	Joback Calculated Property
Vc	1.149	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[892.50; 974.87]	J/mol×K	[750.48; 923.72]
Cp,gas	892.50	J/mol×K	750.48	Joback Calculated Property
Cp,gas	908.35	J/mol×K	779.35	Joback Calculated Property
Cp,gas	923.30	J/mol×K	808.23	Joback Calculated Property
Cp,gas	937.38	J/mol×K	837.10	Joback Calculated Property
Cp,gas	950.63	J/mol×K	865.98	Joback Calculated Property
Cp,gas	963.12	J/mol×K	894.85	Joback Calculated Property
Cp,gas	974.87	J/mol×K	923.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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