Chemical Properties of Dimethylmalonic acid, di(2,3,4-trifluorophenyl) ester

InChI

InChI=1S/C17H10F6O4/c1-17(2,15(24)26-9-5-3-7(18)11(20)13(9)22)16(25)27-10-6-4-8(19)12(21)14(10)23/h3-6H,1-2H3

InChI Key

NXSIWYZUHCJLPI-UHFFFAOYSA-N

Formula

C17H10F6O4

SMILES

CC(C)(C(=O)Oc1ccc(F)c(F)c1F)C(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

392.25

• 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°	-1374.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1664.98	kJ/mol	Joback Calculated Property
ΔfusH°	42.17	kJ/mol	Joback Calculated Property
ΔvapH°	74.07	kJ/mol	Joback Calculated Property
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	4.058		Crippen Calculated Property
McVol	228.370	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	816.57	K	Joback Calculated Property
Tc	1018.95	K	Joback Calculated Property
Tfus	559.59	K	Joback Calculated Property
Vc	0.916	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.35; 703.40]	J/mol×K	[816.57; 1018.95]
Cp,gas	653.35	J/mol×K	816.57	Joback Calculated Property
Cp,gas	663.87	J/mol×K	850.30	Joback Calculated Property
Cp,gas	673.50	J/mol×K	884.03	Joback Calculated Property
Cp,gas	682.25	J/mol×K	917.76	Joback Calculated Property
Cp,gas	690.14	J/mol×K	951.49	Joback Calculated Property
Cp,gas	697.18	J/mol×K	985.22	Joback Calculated Property
Cp,gas	703.40	J/mol×K	1018.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2,3,4-trifluorophenyl) ester.

Sources

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

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