Chemical Properties of Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl propyl ester

InChI

InChI=1S/C17H20F4O4/c1-4-10-24-14(22)16(5-2,6-3)15(23)25-12-9-7-8-11(13(12)18)17(19,20)21/h7-9H,4-6,10H2,1-3H3

InChI Key

LAZQELMLNMTWPJ-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

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

Molecular Weight¹

364.33

• 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°	-1055.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1472.16	kJ/mol	Joback Calculated Property
ΔfusH°	36.11	kJ/mol	Joback Calculated Property
ΔvapH°	69.49	kJ/mol	Joback Calculated Property
log10WS	-5.19		Crippen Calculated Property
logPoct/wat	4.510		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[1748.00; 1748.00]
Inp	1748.00		NIST
Inp	1748.00		NIST
Tboil	768.20	K	Joback Calculated Property
Tc	960.27	K	Joback Calculated Property
Tfus	484.33	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.95; 807.26]	J/mol×K	[768.20; 960.27]
Cp,gas	737.95	J/mol×K	768.20	Joback Calculated Property
Cp,gas	751.69	J/mol×K	800.21	Joback Calculated Property
Cp,gas	764.51	J/mol×K	832.22	Joback Calculated Property
Cp,gas	776.43	J/mol×K	864.23	Joback Calculated Property
Cp,gas	787.51	J/mol×K	896.25	Joback Calculated Property
Cp,gas	797.77	J/mol×K	928.26	Joback Calculated Property
Cp,gas	807.26	J/mol×K	960.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl propyl ester.

Sources

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

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