Chemical Properties of Dimethylmalonic acid, dipentafluorophenyl ester

InChI

InChI=1S/C17H6F10O4/c1-17(2,15(28)30-13-9(24)5(20)3(18)6(21)10(13)25)16(29)31-14-11(26)7(22)4(19)8(23)12(14)27/h1-2H3

InChI Key

WWFPQFWWTZIEIC-UHFFFAOYSA-N

Formula

C17H6F10O4

SMILES

CC(C)(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

464.21

• 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°	-2192.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-2495.30	kJ/mol	Joback Calculated Property
ΔfusH°	52.94	kJ/mol	Joback Calculated Property
ΔvapH°	73.45	kJ/mol	Joback Calculated Property
log10WS	-7.24		Crippen Calculated Property
logPoct/wat	4.615		Crippen Calculated Property
McVol	235.450	ml/mol	McGowan Calculated Property
Pc	1395.41	kPa	Joback Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		NIST
Tboil	833.57	K	Joback Calculated Property
Tc	1024.37	K	Joback Calculated Property
Tfus	612.03	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.31; 720.01]	J/mol×K	[833.57; 1024.37]
Cp,gas	677.31	J/mol×K	833.57	Joback Calculated Property
Cp,gas	686.39	J/mol×K	865.37	Joback Calculated Property
Cp,gas	694.68	J/mol×K	897.17	Joback Calculated Property
Cp,gas	702.19	J/mol×K	928.97	Joback Calculated Property
Cp,gas	708.92	J/mol×K	960.77	Joback Calculated Property
Cp,gas	714.86	J/mol×K	992.57	Joback Calculated Property
Cp,gas	720.01	J/mol×K	1024.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dipentafluorophenyl ester.

Sources

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

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