Chemical Properties of Phthalic acid, 3-fluorobenzyl hexadecyl ester

InChI

InChI=1S/C31H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-35-30(33)28-21-15-16-22-29(28)31(34)36-25-26-19-18-20-27(32)24-26/h15-16,18-22,24H,2-14,17,23,25H2,1H3

InChI Key

HXESKQBYQIZXOV-UHFFFAOYSA-N

Formula

C31H43FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cccc(F)c1

Molecular Weight¹

498.67

• 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°	-246.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-918.76	kJ/mol	Joback Calculated Property
ΔfusH°	72.00	kJ/mol	Joback Calculated Property
ΔvapH°	107.97	kJ/mol	Joback Calculated Property
log10WS	-10.68		Crippen Calculated Property
logPoct/wat	8.821		Crippen Calculated Property
McVol	416.780	ml/mol	McGowan Calculated Property
Pc	809.37	kPa	Joback Calculated Property
Inp	[3565.00; 3565.00]
Inp	3565.00		NIST
Inp	3565.00		NIST
Tboil	1123.85	K	Joback Calculated Property
Tc	1386.10	K	Joback Calculated Property
Tfus	661.92	K	Joback Calculated Property
Vc	1.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1452.21; 1515.47]	J/mol×K	[1123.85; 1386.10]
Cp,gas	1452.21	J/mol×K	1123.85	Joback Calculated Property
Cp,gas	1467.31	J/mol×K	1167.56	Joback Calculated Property
Cp,gas	1480.43	J/mol×K	1211.27	Joback Calculated Property
Cp,gas	1491.69	J/mol×K	1254.98	Joback Calculated Property
Cp,gas	1501.20	J/mol×K	1298.68	Joback Calculated Property
Cp,gas	1509.09	J/mol×K	1342.39	Joback Calculated Property
Cp,gas	1515.47	J/mol×K	1386.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-fluorobenzyl hexadecyl ester.

Sources

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

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