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

InChI

InChI=1S/C28H45FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-24-20-19-23(29)22-25(24)32-4/h19-20,22H,5-18,21H2,1-4H3

InChI Key

BQTPFRRIASFBOH-UHFFFAOYSA-N

Formula

C28H45FO5

SMILES

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

Molecular Weight¹

480.65

• 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°	-486.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1234.34	kJ/mol	Joback Calculated Property
ΔfusH°	63.97	kJ/mol	Joback Calculated Property
ΔvapH°	100.13	kJ/mol	Joback Calculated Property
log10WS	-8.81		Crippen Calculated Property
logPoct/wat	7.790		Crippen Calculated Property
McVol	404.140	ml/mol	McGowan Calculated Property
Pc	790.82	kPa	Joback Calculated Property
Inp	[3068.00; 3068.00]
Inp	3068.00		NIST
Inp	3068.00		NIST
Tboil	1047.72	K	Joback Calculated Property
Tc	1290.25	K	Joback Calculated Property
Tfus	626.34	K	Joback Calculated Property
Vc	1.569	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1404.14; 1479.77]	J/mol×K	[1047.72; 1290.25]
Cp,gas	1404.14	J/mol×K	1047.72	Joback Calculated Property
Cp,gas	1421.27	J/mol×K	1088.14	Joback Calculated Property
Cp,gas	1436.49	J/mol×K	1128.56	Joback Calculated Property
Cp,gas	1449.87	J/mol×K	1168.98	Joback Calculated Property
Cp,gas	1461.49	J/mol×K	1209.40	Joback Calculated Property
Cp,gas	1471.43	J/mol×K	1249.82	Joback Calculated Property
Cp,gas	1479.77	J/mol×K	1290.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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