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

InChI

InChI=1S/C16H23F7O4/c1-4-7-8-9-26-11(24)13(5-2,6-3)12(25)27-10-14(17,18)15(19,20)16(21,22)23/h4-10H2,1-3H3

InChI Key

YZGBCYPTABMUCY-UHFFFAOYSA-N

Formula

C16H23F7O4

SMILES

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

Molecular Weight¹

412.34

• 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°	-1736.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-2270.94	kJ/mol	Joback Calculated Property
ΔfusH°	34.67	kJ/mol	Joback Calculated Property
ΔvapH°	58.62	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	4.902		Crippen Calculated Property
McVol	263.570	ml/mol	McGowan Calculated Property
Pc	1188.24	kPa	Joback Calculated Property
Inp	[1456.00; 1456.00]
Inp	1456.00		NIST
Inp	1456.00		NIST
Tboil	700.03	K	Joback Calculated Property
Tc	866.37	K	Joback Calculated Property
Tfus	428.21	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.96; 871.82]	J/mol×K	[700.03; 866.37]
Cp,gas	796.96	J/mol×K	700.03	Joback Calculated Property
Cp,gas	811.44	J/mol×K	727.75	Joback Calculated Property
Cp,gas	825.05	J/mol×K	755.48	Joback Calculated Property
Cp,gas	837.85	J/mol×K	783.20	Joback Calculated Property
Cp,gas	849.88	J/mol×K	810.92	Joback Calculated Property
Cp,gas	861.18	J/mol×K	838.64	Joback Calculated Property
Cp,gas	871.82	J/mol×K	866.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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