Chemical Properties of Phthalic acid, 2,5-difluorobenzyl pentadecyl ester

InChI

InChI=1S/C30H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)26-17-14-15-18-27(26)30(34)36-23-24-22-25(31)19-20-28(24)32/h14-15,17-20,22H,2-13,16,21,23H2,1H3

InChI Key

VXUALWDTENYEIQ-UHFFFAOYSA-N

Formula

C30H40F2O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1F

Molecular Weight¹

502.63

• 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	1.3108		Relay (1.0) Calculated Property
ΔfG°	-459.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1148.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.11	kJ/mol	Joback Calculated Property
ΔvapH°	139.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-8.97		Relay (1.0) Calculated Property
logPoct/wat	8.570		Crippen Calculated Property
McVol	404.460	ml/mol	McGowan Calculated Property
Pc	826.21	kPa	Joback Calculated Property
Inp	[3351.00; 3351.00]
Inp	3351.00		NIST
Inp	3351.00		NIST
Tboil	721.32	K	Relay (1.0) Calculated Property
Tc	951.99	K	Relay (1.0) Calculated Property
Tfus	307.22	K	Relay (1.0) Calculated Property
Vc	1.517	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1394.91; 1455.18]	J/mol×K	[1105.22; 1362.68]
Cp,gas	1394.91	J/mol×K	1105.22	Joback Calculated Property
Cp,gas	1409.55	J/mol×K	1148.13	Joback Calculated Property
Cp,gas	1422.23	J/mol×K	1191.04	Joback Calculated Property
Cp,gas	1433.03	J/mol×K	1233.95	Joback Calculated Property
Cp,gas	1442.06	J/mol×K	1276.86	Joback Calculated Property
Cp,gas	1449.41	J/mol×K	1319.77	Joback Calculated Property
Cp,gas	1455.18	J/mol×K	1362.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-difluorobenzyl pentadecyl ester.

Sources

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

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