Chemical Properties of Malonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl propyl ester

InChI

InChI=1S/C11H12F8O4/c1-2-3-22-6(20)4-7(21)23-5-9(14,15)11(18,19)10(16,17)8(12)13/h8H,2-5H2,1H3

InChI Key

KPMDKNIBZDMDNW-UHFFFAOYSA-N

Formula

C11H12F8O4

SMILES

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

Molecular Weight¹

360.20

• 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	0.7139		Relay (... Calculated Property
ΔfG°	-1978.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2464.88	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.70	kJ/mol	Joback Calculated Property
ΔvapH°	75.71	kJ/mol	Relay (... Calculated Property
IE	10.48	eV	Relay (... Calculated Property
log10WS	-4.47		Relay (... Calculated Property
logPoct/wat	3.044		Crippen Calculated Property
McVol	194.890	ml/mol	McGowan Calculated Property
Pc	1629.85	kPa	Joback Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
Tboil	499.27	K	Relay (... Calculated Property
Tc	642.72	K	Relay (... Calculated Property
Tfus	240.34	K	Relay (... Calculated Property
Vc	0.743	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.02; 601.28]	J/mol×K	[587.69; 742.15]
Cp,gas	540.02	J/mol×K	587.69	Joback Calculated Property
Cp,gas	551.81	J/mol×K	613.43	Joback Calculated Property
Cp,gas	562.93	J/mol×K	639.18	Joback Calculated Property
Cp,gas	573.41	J/mol×K	664.92	Joback Calculated Property
Cp,gas	583.28	J/mol×K	690.66	Joback Calculated Property
Cp,gas	592.56	J/mol×K	716.41	Joback Calculated Property
Cp,gas	601.28	J/mol×K	742.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl propyl ester.

Sources

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

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