Chemical Properties of Phthalic acid, 3-fluorobenzyl pentyl ester

InChI

InChI=1S/C20H21FO4/c1-2-3-6-12-24-19(22)17-10-4-5-11-18(17)20(23)25-14-15-8-7-9-16(21)13-15/h4-5,7-11,13H,2-3,6,12,14H2,1H3

InChI Key

QLNWXMPONGYYEM-UHFFFAOYSA-N

Formula

C20H21FO4

SMILES

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

Molecular Weight¹

344.38

• 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°	-339.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.72	kJ/mol	Joback Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	83.48	kJ/mol	Joback Calculated Property
log10WS	-6.07		Crippen Calculated Property
logPoct/wat	4.530		Crippen Calculated Property
McVol	261.790	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	872.17	K	Joback Calculated Property
Tc	1090.48	K	Joback Calculated Property
Tfus	537.95	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[787.68; 851.56]	J/mol×K	[872.17; 1090.48]
Cp,gas	787.68	J/mol×K	872.17	Joback Calculated Property
Cp,gas	801.27	J/mol×K	908.56	Joback Calculated Property
Cp,gas	813.65	J/mol×K	944.94	Joback Calculated Property
Cp,gas	824.84	J/mol×K	981.33	Joback Calculated Property
Cp,gas	834.86	J/mol×K	1017.71	Joback Calculated Property
Cp,gas	843.76	J/mol×K	1054.10	Joback Calculated Property
Cp,gas	851.56	J/mol×K	1090.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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