Chemical Properties of Diethylmalonic acid, 4-fluoro-2-methoxyphenyl propyl ester

InChI

InChI=1S/C17H23FO5/c1-5-10-22-15(19)17(6-2,7-3)16(20)23-13-9-8-12(18)11-14(13)21-4/h8-9,11H,5-7,10H2,1-4H3

InChI Key

VJRXUUOEUSKXQJ-UHFFFAOYSA-N

Formula

C17H23FO5

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

326.36

• 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°	-579.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1007.30	kJ/mol	Joback Calculated Property
ΔfusH°	35.48	kJ/mol	Joback Calculated Property
ΔvapH°	75.64	kJ/mol	Joback Calculated Property
log10WS	-4.21		Crippen Calculated Property
logPoct/wat	3.499		Crippen Calculated Property
McVol	249.150	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[2004.00; 2004.00]
Inp	2004.00		NIST
Inp	2004.00		NIST
Tboil	796.04	K	Joback Calculated Property
Tc	998.12	K	Joback Calculated Property
Tfus	502.37	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.04; 813.34]	J/mol×K	[796.04; 998.12]
Cp,gas	741.04	J/mol×K	796.04	Joback Calculated Property
Cp,gas	755.66	J/mol×K	829.72	Joback Calculated Property
Cp,gas	769.24	J/mol×K	863.40	Joback Calculated Property
Cp,gas	781.78	J/mol×K	897.08	Joback Calculated Property
Cp,gas	793.30	J/mol×K	930.76	Joback Calculated Property
Cp,gas	803.82	J/mol×K	964.44	Joback Calculated Property
Cp,gas	813.34	J/mol×K	998.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl propyl ester.

Sources

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

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