Chemical Properties of Phthalic acid, 3-fluorophenyl hexadecyl ester

InChI

InChI=1S/C30H41FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-34-29(32)27-21-15-16-22-28(27)30(33)35-26-20-18-19-25(31)24-26/h15-16,18-22,24H,2-14,17,23H2,1H3

InChI Key

WAPFMLKVJPGTED-UHFFFAOYSA-N

Formula

C30H41FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)Oc1cccc(F)c1

Molecular Weight¹

484.64

• 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°	-255.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.12	kJ/mol	Joback Calculated Property
ΔfusH°	69.41	kJ/mol	Joback Calculated Property
ΔvapH°	105.75	kJ/mol	Joback Calculated Property
log10WS	-10.41		Crippen Calculated Property
logPoct/wat	8.683		Crippen Calculated Property
McVol	402.690	ml/mol	McGowan Calculated Property
Pc	855.46	kPa	Joback Calculated Property
Inp	[3468.00; 3468.00]
Inp	3468.00		NIST
Inp	3468.00		NIST
Tboil	1100.97	K	Joback Calculated Property
Tc	1353.59	K	Joback Calculated Property
Tfus	650.65	K	Joback Calculated Property
Vc	1.565	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1389.85; 1453.34]	J/mol×K	[1100.97; 1353.59]
Cp,gas	1389.85	J/mol×K	1100.97	Joback Calculated Property
Cp,gas	1404.73	J/mol×K	1143.07	Joback Calculated Property
Cp,gas	1417.75	J/mol×K	1185.18	Joback Calculated Property
Cp,gas	1429.02	J/mol×K	1227.28	Joback Calculated Property
Cp,gas	1438.64	J/mol×K	1269.38	Joback Calculated Property
Cp,gas	1446.72	J/mol×K	1311.48	Joback Calculated Property
Cp,gas	1453.34	J/mol×K	1353.59	Joback Calculated Property

Similar Compounds

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

Sources

• 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.