Chemical Properties of Dimethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C14H14F4O4/c1-4-21-11(19)13(2,3)12(20)22-9-7-5-6-8(10(9)15)14(16,17)18/h5-7H,4H2,1-3H3

InChI Key

FGCGNCIXHANHBY-UHFFFAOYSA-N

Formula

C14H14F4O4

SMILES

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

Molecular Weight¹

322.25

• 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°	-1081.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1410.24	kJ/mol	Joback Calculated Property
ΔfusH°	28.35	kJ/mol	Joback Calculated Property
ΔvapH°	62.81	kJ/mol	Joback Calculated Property
log10WS	-3.93		Crippen Calculated Property
logPoct/wat	3.339		Crippen Calculated Property
McVol	206.320	ml/mol	McGowan Calculated Property
Pc	1872.41	kPa	Joback Calculated Property
Inp	[1510.00; 1510.00]
Inp	1510.00		NIST
Inp	1510.00		NIST
Tboil	699.56	K	Joback Calculated Property
Tc	894.51	K	Joback Calculated Property
Tfus	450.52	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.13; 639.75]	J/mol×K	[699.56; 894.51]
Cp,gas	576.13	J/mol×K	699.56	Joback Calculated Property
Cp,gas	588.79	J/mol×K	732.05	Joback Calculated Property
Cp,gas	600.59	J/mol×K	764.54	Joback Calculated Property
Cp,gas	611.54	J/mol×K	797.03	Joback Calculated Property
Cp,gas	621.70	J/mol×K	829.53	Joback Calculated Property
Cp,gas	631.09	J/mol×K	862.02	Joback Calculated Property
Cp,gas	639.75	J/mol×K	894.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, ethyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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