Chemical Properties of Isophthalic acid, 3-fluorophenyl pentadecyl ester

InChI

InChI=1S/C29H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-33-28(31)24-17-15-18-25(22-24)29(32)34-27-20-16-19-26(30)23-27/h15-20,22-23H,2-14,21H2,1H3

InChI Key

JOZSORHPPVONAJ-UHFFFAOYSA-N

Formula

C29H39FO4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2cccc(F)c2)c1

Molecular Weight¹

470.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	1.2955		Relay (1.0) Calculated Property
ΔfG°	-263.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-999.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.82	kJ/mol	Joback Calculated Property
ΔvapH°	132.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-8.75		Relay (1.0) Calculated Property
logPoct/wat	8.293		Crippen Calculated Property
McVol	388.600	ml/mol	McGowan Calculated Property
Pc	905.61	kPa	Joback Calculated Property
Inp	[3620.00; 3620.00]
Inp	3620.00		NIST
Inp	3620.00		NIST
Tboil	719.44	K	Relay (1.0) Calculated Property
Tc	952.94	K	Relay (1.0) Calculated Property
Tfus	321.23	K	Relay (1.0) Calculated Property
Vc	1.457	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1327.76; 1391.47]	J/mol×K	[1078.09; 1322.44]
Cp,gas	1327.76	J/mol×K	1078.09	Joback Calculated Property
Cp,gas	1342.44	J/mol×K	1118.81	Joback Calculated Property
Cp,gas	1355.38	J/mol×K	1159.54	Joback Calculated Property
Cp,gas	1366.66	J/mol×K	1200.26	Joback Calculated Property
Cp,gas	1376.38	J/mol×K	1240.99	Joback Calculated Property
Cp,gas	1384.62	J/mol×K	1281.71	Joback Calculated Property
Cp,gas	1391.47	J/mol×K	1322.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-fluorophenyl pentadecyl ester.

Sources

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

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