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

InChI

InChI=1S/C13H16F8O4/c1-2-3-4-5-24-8(22)6-9(23)25-7-11(16,17)13(20,21)12(18,19)10(14)15/h10H,2-7H2,1H3

InChI Key

WGDFIMFYQDLSPX-UHFFFAOYSA-N

Formula

C13H16F8O4

SMILES

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

Molecular Weight¹

388.25

• 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°	-1961.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-2401.66	kJ/mol	Joback Calculated Property
ΔfusH°	33.87	kJ/mol	Joback Calculated Property
ΔvapH°	52.03	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.824		Crippen Calculated Property
McVol	223.070	ml/mol	McGowan Calculated Property
Pc	1403.79	kPa	Joback Calculated Property
Inp	[1465.00; 1465.00]
Inp	1465.00		NIST
Inp	1465.00		NIST
Tboil	633.45	K	Joback Calculated Property
Tc	789.46	K	Joback Calculated Property
Tfus	377.57	K	Joback Calculated Property
Vc	0.916	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.44; 708.01]	J/mol×K	[633.45; 789.46]
Cp,gas	641.44	J/mol×K	633.45	Joback Calculated Property
Cp,gas	654.22	J/mol×K	659.45	Joback Calculated Property
Cp,gas	666.29	J/mol×K	685.45	Joback Calculated Property
Cp,gas	677.68	J/mol×K	711.46	Joback Calculated Property
Cp,gas	688.41	J/mol×K	737.46	Joback Calculated Property
Cp,gas	698.51	J/mol×K	763.46	Joback Calculated Property
Cp,gas	708.01	J/mol×K	789.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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