Chemical Properties of Glutaric acid, oct-1-en-3-yl 2-fluorophenyl ester

InChI

InChI=1S/C19H25FO4/c1-3-5-6-10-15(4-2)23-18(21)13-9-14-19(22)24-17-12-8-7-11-16(17)20/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3

InChI Key

VYFZMZFEQCGVTC-UHFFFAOYSA-N

Formula

C19H25FO4

SMILES

C=CC(CCCCC)OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

336.40

• 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	0.8532		Relay (1.0) Calculated Property
ΔfG°	-365.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-912.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.47	kJ/mol	Joback Calculated Property
ΔvapH°	95.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.580		Crippen Calculated Property
McVol	267.160	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2224.00; 2224.00]
Inp	2224.00		NIST
Inp	2224.00		NIST
Tboil	624.34	K	Relay (1.0) Calculated Property
Tc	808.20	K	Relay (1.0) Calculated Property
Tfus	285.40	K	Relay (1.0) Calculated Property
Vc	0.961	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.34; 875.80]	J/mol×K	[813.87; 1012.34]
Cp,gas	800.34	J/mol×K	813.87	Joback Calculated Property
Cp,gas	815.44	J/mol×K	846.95	Joback Calculated Property
Cp,gas	829.50	J/mol×K	880.03	Joback Calculated Property
Cp,gas	842.55	J/mol×K	913.11	Joback Calculated Property
Cp,gas	854.59	J/mol×K	946.19	Joback Calculated Property
Cp,gas	865.67	J/mol×K	979.26	Joback Calculated Property
Cp,gas	875.80	J/mol×K	1012.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, oct-1-en-3-yl 2-fluorophenyl ester.

Sources

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

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