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

InChI

InChI=1S/C16H19FO4/c1-2-3-6-12-20-15(18)10-7-11-16(19)21-14-9-5-4-8-13(14)17/h3-6,8-9H,2,7,10-12H2,1H3/b6-3+

InChI Key

NJPQHVTWACIZFO-ZZXKWVIFSA-N

Formula

C16H19FO4

SMILES

CCC=CCOC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

294.32

• 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	0.7403		Relay (... Calculated Property
ΔfG°	-395.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.70	kJ/mol	Joback Calculated Property
ΔvapH°	88.98	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-3.89		Relay (... Calculated Property
logPoct/wat	3.411		Crippen Calculated Property
McVol	224.890	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	590.10	K	Relay (... Calculated Property
Tc	790.33	K	Relay (... Calculated Property
Tfus	279.42	K	Relay (... Calculated Property
Vc	0.807	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[631.69; 702.73]	J/mol×K	[753.15; 954.26]
Cp,gas	631.69	J/mol×K	753.15	Joback Calculated Property
Cp,gas	645.72	J/mol×K	786.67	Joback Calculated Property
Cp,gas	658.84	J/mol×K	820.19	Joback Calculated Property
Cp,gas	671.08	J/mol×K	853.71	Joback Calculated Property
Cp,gas	682.46	J/mol×K	887.22	Joback Calculated Property
Cp,gas	693.00	J/mol×K	920.74	Joback Calculated Property
Cp,gas	702.73	J/mol×K	954.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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