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

InChI

InChI=1S/C13H20F4O4/c1-4-7-20-10(18)12(5-2,6-3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3

InChI Key

NPGZXNMHKWXWJV-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

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

Molecular Weight¹

316.29

• 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°	-1185.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1608.47	kJ/mol	Joback Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	56.60	kJ/mol	Joback Calculated Property
log10WS	-3.38		Crippen Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	215.990	ml/mol	McGowan Calculated Property
Pc	1589.81	kPa	Joback Calculated Property
Inp	[1294.00; 1294.00]
Inp	1294.00		NIST
Inp	1294.00		NIST
Tboil	639.60	K	Joback Calculated Property
Tc	809.01	K	Joback Calculated Property
Tfus	372.79	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.46; 680.41]	J/mol×K	[639.60; 809.01]
Cp,gas	606.46	J/mol×K	639.60	Joback Calculated Property
Cp,gas	620.58	J/mol×K	667.84	Joback Calculated Property
Cp,gas	633.96	J/mol×K	696.07	Joback Calculated Property
Cp,gas	646.60	J/mol×K	724.31	Joback Calculated Property
Cp,gas	658.55	J/mol×K	752.54	Joback Calculated Property
Cp,gas	669.81	J/mol×K	780.78	Joback Calculated Property
Cp,gas	680.41	J/mol×K	809.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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