Chemical Properties of Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester

InChI

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

InChI Key

BFTDUTPJQMPLME-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

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

Molecular Weight¹

316.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7047		Relay (1.0) Calculated Property
ΔfG°	-1185.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1722.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	67.32	kJ/mol	Relay (1.0) Calculated Property
IE	10.68	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) 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	[1364.00; 1364.00]
Inp	1364.00		NIST
Inp	1364.00		NIST
Tboil	501.52	K	Relay (1.0) Calculated Property
Tc	677.54	K	Relay (1.0) Calculated Property
Tfus	271.63	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) 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 Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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