Chemical Properties of Dimethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester

InChI

InChI=1S/C19H12F8O4/c1-17(2,15(28)30-11-7-3-5-9(13(11)20)18(22,23)24)16(29)31-12-8-4-6-10(14(12)21)19(25,26)27/h3-8H,1-2H3

InChI Key

IIWWKZUQVUTOAD-UHFFFAOYSA-N

Formula

C19H12F8O4

SMILES

CC(C)(C(=O)Oc1cccc(C(F)(F)F)c1F)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

456.28

• 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°	-1722.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2093.04	kJ/mol	Joback Calculated Property
ΔfusH°	39.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.98	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	5.540		Crippen Calculated Property
McVol	260.090	ml/mol	McGowan Calculated Property
Pc	1422.92	kPa	Joback Calculated Property
Inp	[1910.00; 1910.00]
Inp	1910.00		NIST
Inp	1910.00		NIST
Tboil	844.45	K	Joback Calculated Property
Tc	1046.87	K	Joback Calculated Property
Tfus	563.11	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.31; 835.92]	J/mol×K	[844.45; 1046.87]
Cp,gas	784.31	J/mol×K	844.45	Joback Calculated Property
Cp,gas	794.98	J/mol×K	878.19	Joback Calculated Property
Cp,gas	804.72	J/mol×K	911.92	Joback Calculated Property
Cp,gas	813.62	J/mol×K	945.66	Joback Calculated Property
Cp,gas	821.74	J/mol×K	979.39	Joback Calculated Property
Cp,gas	829.15	J/mol×K	1013.13	Joback Calculated Property
Cp,gas	835.92	J/mol×K	1046.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester.

Sources

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

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