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

InChI

InChI=1S/C14H21F5O4/c1-5-12(6-2,10(20)22-7-9(3)4)11(21)23-8-13(15,16)14(17,18)19/h9H,5-8H2,1-4H3

InChI Key

GKGLJXZSBCVIML-UHFFFAOYSA-N

Formula

C14H21F5O4

SMILES

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

Molecular Weight¹

348.31

• 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°	-1368.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1833.97	kJ/mol	Joback Calculated Property
ΔfusH°	27.22	kJ/mol	Joback Calculated Property
ΔvapH°	56.71	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.733		Crippen Calculated Property
McVol	231.850	ml/mol	McGowan Calculated Property
Pc	1445.73	kPa	Joback Calculated Property
Inp	[1237.00; 1237.00]
Inp	1237.00		NIST
Inp	1237.00		NIST
Tboil	658.52	K	Joback Calculated Property
Tc	828.71	K	Joback Calculated Property
Tfus	387.07	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.23; 745.19]	J/mol×K	[658.52; 828.71]
Cp,gas	670.23	J/mol×K	658.52	Joback Calculated Property
Cp,gas	684.69	J/mol×K	686.88	Joback Calculated Property
Cp,gas	698.32	J/mol×K	715.25	Joback Calculated Property
Cp,gas	711.14	J/mol×K	743.61	Joback Calculated Property
Cp,gas	723.21	J/mol×K	771.98	Joback Calculated Property
Cp,gas	734.54	J/mol×K	800.34	Joback Calculated Property
Cp,gas	745.19	J/mol×K	828.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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