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

InChI

InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34-29(32)18-17-19-30(33)35-26-24-27-20-22-28(31)23-21-27/h20-23H,2-19,24-26H2,1H3

InChI Key

PJZOEURBYJRFDL-UHFFFAOYSA-N

Formula

C30H49FO4

SMILES

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

Molecular Weight¹

492.71

• 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	1.3350		Relay (1.0) Calculated Property
ΔfG°	-358.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1239.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.76	kJ/mol	Joback Calculated Property
ΔvapH°	143.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-8.11		Relay (1.0) Calculated Property
logPoct/wat	8.496		Crippen Calculated Property
McVol	426.450	ml/mol	McGowan Calculated Property
Pc	716.83	kPa	Joback Calculated Property
Inp	[3535.00; 3535.00]
Inp	3535.00		NIST
Inp	3535.00		NIST
Tboil	718.86	K	Relay (1.0) Calculated Property
Tc	891.89	K	Relay (1.0) Calculated Property
Tfus	316.48	K	Relay (1.0) Calculated Property
Vc	1.619	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1503.27; 1588.48]	J/mol×K	[1069.31; 1329.04]
Cp,gas	1503.27	J/mol×K	1069.31	Joback Calculated Property
Cp,gas	1522.55	J/mol×K	1112.60	Joback Calculated Property
Cp,gas	1539.65	J/mol×K	1155.89	Joback Calculated Property
Cp,gas	1554.68	J/mol×K	1199.17	Joback Calculated Property
Cp,gas	1567.76	J/mol×K	1242.46	Joback Calculated Property
Cp,gas	1578.99	J/mol×K	1285.75	Joback Calculated Property
Cp,gas	1588.48	J/mol×K	1329.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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