Chemical Properties of Diethylmalonic acid, 2-fluorophenyl octadecyl ester

InChI

InChI=1S/C31H51FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3

InChI Key

BMGPVJAVJDUTDB-UHFFFAOYSA-N

Formula

C31H51FO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F

Molecular Weight¹

506.73

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2692		Relay (1.0) Calculated Property
ΔfG°	-346.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1228.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.94	kJ/mol	Joback Calculated Property
ΔvapH°	141.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-8.44		Relay (1.0) Calculated Property
logPoct/wat	9.342		Crippen Calculated Property
McVol	440.540	ml/mol	McGowan Calculated Property
Pc	688.17	kPa	Joback Calculated Property
Inp	[3315.00; 3315.00]
Inp	3315.00		NIST
Inp	3315.00		NIST
Tboil	684.22	K	Relay (1.0) Calculated Property
Tc	902.47	K	Relay (1.0) Calculated Property
Tfus	327.98	K	Relay (1.0) Calculated Property
Vc	1.629	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1567.38; 1659.76]	J/mol×K	[1088.96; 1352.40]
Cp,gas	1567.38	J/mol×K	1088.96	Joback Calculated Property
Cp,gas	1587.16	J/mol×K	1132.87	Joback Calculated Property
Cp,gas	1604.97	J/mol×K	1176.77	Joback Calculated Property
Cp,gas	1620.98	J/mol×K	1220.68	Joback Calculated Property
Cp,gas	1635.35	J/mol×K	1264.59	Joback Calculated Property
Cp,gas	1648.22	J/mol×K	1308.49	Joback Calculated Property
Cp,gas	1659.76	J/mol×K	1352.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl octadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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