Chemical Properties of Phthalic acid, 4-fluorobenzyl pentyl ester

InChI

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

InChI Key

WLKNEFYSOXOKAW-UHFFFAOYSA-N

Formula

C20H21FO4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(F)cc1

Molecular Weight¹

344.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.8969		Relay (1.0) Calculated Property
ΔfH°gas	-779.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	100.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) 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	[2444.00; 2444.00]
Inp	2444.00		NIST
Inp	2444.00		NIST
Tboil	653.84	K	Relay (1.0) Calculated Property
Tc	888.07	K	Relay (1.0) Calculated Property
Tfus	267.60	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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, 4-fluorobenzyl pentyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.