Chemical Properties of Glutaric acid, 2-(4-fluorophenyl)ethyl hexadecyl ester

InChI

InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-28(31)17-16-18-29(32)34-25-23-26-19-21-27(30)22-20-26/h19-22H,2-18,23-25H2,1H3

InChI Key

XYWLMBZENGZBGK-UHFFFAOYSA-N

Formula

C29H47FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCc1ccc(F)cc1

Molecular Weight¹

478.68

• 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	1.2997		Relay (1.0) Calculated Property
ΔfG°	-366.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1218.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.17	kJ/mol	Joback Calculated Property
ΔvapH°	139.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	8.106		Crippen Calculated Property
McVol	412.360	ml/mol	McGowan Calculated Property
Pc	755.15	kPa	Joback Calculated Property
Inp	[3426.00; 3426.00]
Inp	3426.00		NIST
Inp	3426.00		NIST
Tboil	712.33	K	Relay (1.0) Calculated Property
Tc	885.59	K	Relay (1.0) Calculated Property
Tfus	314.27	K	Relay (1.0) Calculated Property
Vc	1.564	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1439.60; 1524.31]	J/mol×K	[1046.43; 1294.45]
Cp,gas	1439.60	J/mol×K	1046.43	Joback Calculated Property
Cp,gas	1458.39	J/mol×K	1087.77	Joback Calculated Property
Cp,gas	1475.19	J/mol×K	1129.10	Joback Calculated Property
Cp,gas	1490.09	J/mol×K	1170.44	Joback Calculated Property
Cp,gas	1503.19	J/mol×K	1211.78	Joback Calculated Property
Cp,gas	1514.56	J/mol×K	1253.11	Joback Calculated Property
Cp,gas	1524.31	J/mol×K	1294.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(4-fluorophenyl)ethyl hexadecyl ester.

Sources

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

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