Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl 2-fluorophenyl ester

InChI

InChI=1S/C17H19FO4/c1-3-8-13(4-2)21-16(19)11-7-12-17(20)22-15-10-6-5-9-14(15)18/h3-6,9-10,13H,1-2,7-8,11-12H2

InChI Key

OWWKPWYIXBODNN-UHFFFAOYSA-N

Formula

C17H19FO4

SMILES

C=CCC(C=C)OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

306.33

• 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	0.7274		Relay (1.0) Calculated Property
ΔfG°	-294.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-784.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.01	kJ/mol	Joback Calculated Property
ΔvapH°	89.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	3.575		Crippen Calculated Property
McVol	234.680	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
Inp	[2011.00; 2011.00]
Inp	2011.00		NIST
Inp	2011.00		NIST
Tboil	600.75	K	Relay (1.0) Calculated Property
Tc	796.31	K	Relay (1.0) Calculated Property
Tfus	283.74	K	Relay (1.0) Calculated Property
Vc	0.815	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.54; 731.84]	J/mol×K	[764.79; 966.61]
Cp,gas	661.54	J/mol×K	764.79	Joback Calculated Property
Cp,gas	675.57	J/mol×K	798.43	Joback Calculated Property
Cp,gas	688.64	J/mol×K	832.06	Joback Calculated Property
Cp,gas	700.78	J/mol×K	865.70	Joback Calculated Property
Cp,gas	712.01	J/mol×K	899.34	Joback Calculated Property
Cp,gas	722.36	J/mol×K	932.98	Joback Calculated Property
Cp,gas	731.84	J/mol×K	966.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl 2-fluorophenyl ester.

Sources

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

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