Chemical Properties of Dimethylmalonic acid, di(3,5-difluorophenyl) ester

InChI

InChI=1S/C17H12F4O4/c1-17(2,15(22)24-13-5-9(18)3-10(19)6-13)16(23)25-14-7-11(20)4-12(21)8-14/h3-8H,1-2H3

InChI Key

ODECUYAWTNPSDR-UHFFFAOYSA-N

Formula

C17H12F4O4

SMILES

CC(C)(C(=O)Oc1cc(F)cc(F)c1)C(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

356.27

• 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°	-965.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1249.82	kJ/mol	Joback Calculated Property
ΔfusH°	36.79	kJ/mol	Joback Calculated Property
ΔvapH°	74.38	kJ/mol	Joback Calculated Property
log10WS	-5.25		Crippen Calculated Property
logPoct/wat	3.780		Crippen Calculated Property
McVol	224.830	ml/mol	McGowan Calculated Property
Pc	1862.72	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	808.07	K	Joback Calculated Property
Tc	1020.74	K	Joback Calculated Property
Tfus	533.37	K	Joback Calculated Property
Vc	0.880	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.10; 695.84]	J/mol×K	[808.07; 1020.74]
Cp,gas	641.10	J/mol×K	808.07	Joback Calculated Property
Cp,gas	652.62	J/mol×K	843.51	Joback Calculated Property
Cp,gas	663.14	J/mol×K	878.96	Joback Calculated Property
Cp,gas	672.70	J/mol×K	914.40	Joback Calculated Property
Cp,gas	681.31	J/mol×K	949.85	Joback Calculated Property
Cp,gas	689.01	J/mol×K	985.29	Joback Calculated Property
Cp,gas	695.84	J/mol×K	1020.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(3,5-difluorophenyl) ester.

Sources

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

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