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

InChI

InChI=1S/C14H22F4O4/c1-5-13(6-2,11(19)21-7-9(3)4)12(20)22-8-14(17,18)10(15)16/h9-10H,5-8H2,1-4H3

InChI Key

DADYJHRGEFTVJH-UHFFFAOYSA-N

Formula

C14H22F4O4

SMILES

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

Molecular Weight¹

330.32

• 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°	-1179.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1634.39	kJ/mol	Joback Calculated Property
ΔfusH°	28.04	kJ/mol	Joback Calculated Property
ΔvapH°	58.43	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	3.436		Crippen Calculated Property
McVol	230.080	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
Tboil	662.04	K	Joback Calculated Property
Tc	833.58	K	Joback Calculated Property
Tfus	369.06	K	Joback Calculated Property
Vc	0.905	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.03; 737.24]	J/mol×K	[662.04; 833.58]
Cp,gas	660.03	J/mol×K	662.04	Joback Calculated Property
Cp,gas	674.83	J/mol×K	690.63	Joback Calculated Property
Cp,gas	688.82	J/mol×K	719.22	Joback Calculated Property
Cp,gas	702.03	J/mol×K	747.81	Joback Calculated Property
Cp,gas	714.48	J/mol×K	776.40	Joback Calculated Property
Cp,gas	726.21	J/mol×K	804.99	Joback Calculated Property
Cp,gas	737.24	J/mol×K	833.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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