Chemical Properties of Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C14H15F3O4/c1-4-7-20-12(18)14(2,3)13(19)21-9-6-5-8(15)10(16)11(9)17/h5-6H,4,7H2,1-3H3

InChI Key

JVALGMNLDYMAPK-UHFFFAOYSA-N

Formula

C14H15F3O4

SMILES

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

Molecular Weight¹

304.26

• 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°	-898.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1216.85	kJ/mol	Joback Calculated Property
ΔfusH°	32.29	kJ/mol	Joback Calculated Property
ΔvapH°	65.59	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	2.989		Crippen Calculated Property
McVol	204.550	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[1584.00; 1584.00]
Inp	1584.00		NIST
Inp	1584.00		NIST
Tboil	708.50	K	Joback Calculated Property
Tc	902.90	K	Joback Calculated Property
Tfus	460.03	K	Joback Calculated Property
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.45; 629.30]	J/mol×K	[708.50; 902.90]
Cp,gas	564.45	J/mol×K	708.50	Joback Calculated Property
Cp,gas	577.20	J/mol×K	740.90	Joback Calculated Property
Cp,gas	589.16	J/mol×K	773.30	Joback Calculated Property
Cp,gas	600.34	J/mol×K	805.70	Joback Calculated Property
Cp,gas	610.74	J/mol×K	838.10	Joback Calculated Property
Cp,gas	620.39	J/mol×K	870.50	Joback Calculated Property
Cp,gas	629.30	J/mol×K	902.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, propyl 2,3,4-trifluorophenyl ester.

Sources

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

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