Chemical Properties of Glutaric acid, 3-methylbut-2-yl 3-fluorophenyl ester

InChI

InChI=1S/C16H21FO4/c1-11(2)12(3)20-15(18)8-5-9-16(19)21-14-7-4-6-13(17)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3

InChI Key

LLQCVIDSEBTKIO-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1cccc(F)c1

Molecular Weight¹

296.33

• 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	0.7698		Relay (1.0) Calculated Property
ΔfG°	-480.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.46	kJ/mol	Joback Calculated Property
ΔvapH°	83.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.489		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Pc	1772.85	kPa	Joback Calculated Property
Inp	[1924.00; 1924.00]
Inp	1924.00		NIST
Inp	1924.00		NIST
Tboil	588.97	K	Relay (1.0) Calculated Property
Tc	783.03	K	Relay (1.0) Calculated Property
Tfus	298.18	K	Relay (1.0) Calculated Property
Vc	0.837	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[657.27; 732.65]	J/mol×K	[748.11; 948.92]
Cp,gas	657.27	J/mol×K	748.11	Joback Calculated Property
Cp,gas	672.26	J/mol×K	781.58	Joback Calculated Property
Cp,gas	686.26	J/mol×K	815.05	Joback Calculated Property
Cp,gas	699.29	J/mol×K	848.52	Joback Calculated Property
Cp,gas	711.36	J/mol×K	881.98	Joback Calculated Property
Cp,gas	722.47	J/mol×K	915.45	Joback Calculated Property
Cp,gas	732.65	J/mol×K	948.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 3-fluorophenyl ester.

Sources

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

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