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

InChI

InChI=1S/C19H27FO5/c1-5-8-9-12-24-17(21)19(6-2,7-3)18(22)25-15-11-10-14(20)13-16(15)23-4/h10-11,13H,5-9,12H2,1-4H3

InChI Key

PKUIGTWTFLUFNU-UHFFFAOYSA-N

Formula

C19H27FO5

SMILES

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

Molecular Weight¹

354.41

• 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°	-562.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1048.58	kJ/mol	Joback Calculated Property
ΔfusH°	40.66	kJ/mol	Joback Calculated Property
ΔvapH°	80.10	kJ/mol	Joback Calculated Property
log10WS	-5.04		Crippen Calculated Property
logPoct/wat	4.279		Crippen Calculated Property
McVol	277.330	ml/mol	McGowan Calculated Property
Pc	1379.91	kPa	Joback Calculated Property
Inp	[2165.00; 2165.00]
Inp	2165.00		NIST
Inp	2165.00		NIST
Tboil	841.80	K	Joback Calculated Property
Tc	1043.63	K	Joback Calculated Property
Tfus	524.91	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.87; 929.69]	J/mol×K	[841.80; 1043.63]
Cp,gas	855.87	J/mol×K	841.80	Joback Calculated Property
Cp,gas	870.94	J/mol×K	875.44	Joback Calculated Property
Cp,gas	884.87	J/mol×K	909.08	Joback Calculated Property
Cp,gas	897.69	J/mol×K	942.72	Joback Calculated Property
Cp,gas	909.42	J/mol×K	976.36	Joback Calculated Property
Cp,gas	920.08	J/mol×K	1009.99	Joback Calculated Property
Cp,gas	929.69	J/mol×K	1043.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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