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

InChI

InChI=1S/C17H21FO4/c1-2-3-4-7-13-21-16(19)11-8-12-17(20)22-15-10-6-5-9-14(15)18/h4-7,9-10H,2-3,8,11-13H2,1H3/b7-4+

InChI Key

ZUGMGQXQEJTUBV-QPJJXVBHSA-N

Formula

C17H21FO4

SMILES

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

Molecular Weight¹

308.34

• 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	0.7774		Relay (1.0) Calculated Property
ΔfG°	-387.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-890.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	92.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.801		Crippen Calculated Property
McVol	238.980	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[2132.00; 2132.00]
Inp	2132.00		NIST
Inp	2132.00		NIST
Tboil	601.29	K	Relay (1.0) Calculated Property
Tc	797.42	K	Relay (1.0) Calculated Property
Tfus	278.07	K	Relay (1.0) Calculated Property
Vc	0.861	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.98; 759.66]	J/mol×K	[776.03; 975.93]
Cp,gas	686.98	J/mol×K	776.03	Joback Calculated Property
Cp,gas	701.35	J/mol×K	809.35	Joback Calculated Property
Cp,gas	714.78	J/mol×K	842.66	Joback Calculated Property
Cp,gas	727.30	J/mol×K	875.98	Joback Calculated Property
Cp,gas	738.93	J/mol×K	909.30	Joback Calculated Property
Cp,gas	749.71	J/mol×K	942.62	Joback Calculated Property
Cp,gas	759.66	J/mol×K	975.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-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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