Chemical Properties of Glutaric acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C17H23FO5/c1-11(2)12(3)22-16(19)6-5-7-17(20)23-14-9-8-13(18)10-15(14)21-4/h8-12H,5-7H2,1-4H3

InChI Key

OENMUHAQEFBWMM-UHFFFAOYSA-N

Formula

C17H23FO5

SMILES

COc1cc(F)ccc1OC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

326.36

• 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).
• 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
ΔfG°	-587.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1009.11	kJ/mol	Joback Calculated Property
ΔfusH°	35.84	kJ/mol	Joback Calculated Property
ΔvapH°	76.17	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.498		Crippen Calculated Property
McVol	249.150	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2111.00; 2111.00]
Inp	2111.00		NIST
Inp	2111.00		NIST
Tboil	798.39	K	Joback Calculated Property
Tc	998.63	K	Joback Calculated Property
Tfus	469.95	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.51; 813.09]	J/mol×K	[798.39; 998.63]
Cp,gas	740.51	J/mol×K	798.39	Joback Calculated Property
Cp,gas	755.28	J/mol×K	831.76	Joback Calculated Property
Cp,gas	768.98	J/mol×K	865.14	Joback Calculated Property
Cp,gas	781.62	J/mol×K	898.51	Joback Calculated Property
Cp,gas	793.18	J/mol×K	931.88	Joback Calculated Property
Cp,gas	803.67	J/mol×K	965.25	Joback Calculated Property
Cp,gas	813.09	J/mol×K	998.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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