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

InChI

InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-34-28(32)25-16-13-14-17-26(25)29(33)35-22-23-21-24(30)18-19-27(23)31/h13-14,16-19,21H,2-12,15,20,22H2,1H3

InChI Key

NSBKTKYUMWKVCL-UHFFFAOYSA-N

Formula

C29H38F2O4

SMILES

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

Molecular Weight¹

488.61

• 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	1.2740		Relay (... Calculated Property
ΔfG°	-468.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	69.52	kJ/mol	Joback Calculated Property
ΔvapH°	135.26	kJ/mol	Relay (... Calculated Property
IE	8.98	eV	Relay (... Calculated Property
log10WS	-8.69		Relay (... Calculated Property
logPoct/wat	8.180		Crippen Calculated Property
McVol	390.370	ml/mol	McGowan Calculated Property
Pc	873.77	kPa	Joback Calculated Property
Inp	[3247.00; 3247.00]
Inp	3247.00		NIST
Inp	3247.00		NIST
Tboil	714.66	K	Relay (... Calculated Property
Tc	946.22	K	Relay (... Calculated Property
Tfus	304.88	K	Relay (... Calculated Property
Vc	1.463	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1332.99; 1393.76]	J/mol×K	[1082.34; 1330.36]
Cp,gas	1332.99	J/mol×K	1082.34	Joback Calculated Property
Cp,gas	1347.42	J/mol×K	1123.68	Joback Calculated Property
Cp,gas	1360.02	J/mol×K	1165.01	Joback Calculated Property
Cp,gas	1370.87	J/mol×K	1206.35	Joback Calculated Property
Cp,gas	1380.06	J/mol×K	1247.69	Joback Calculated Property
Cp,gas	1387.66	J/mol×K	1289.02	Joback Calculated Property
Cp,gas	1393.76	J/mol×K	1330.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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