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

InChI

InChI=1S/C18H25FO5/c1-5-14(12(2)3)23-17(20)7-6-8-18(21)24-15-10-9-13(19)11-16(15)22-4/h9-12,14H,5-8H2,1-4H3

InChI Key

MZWYIPGPWSSONU-UHFFFAOYSA-N

Formula

C18H25FO5

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccc(F)cc1OC)C(C)C

Molecular Weight¹

340.39

• 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	0.8799		Relay (1.0) Calculated Property
ΔfG°	-578.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1147.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.43	kJ/mol	Joback Calculated Property
ΔvapH°	91.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	3.888		Crippen Calculated Property
McVol	263.240	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	624.27	K	Relay (1.0) Calculated Property
Tc	811.65	K	Relay (1.0) Calculated Property
Tfus	313.67	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[797.76; 870.93]	J/mol×K	[821.27; 1021.35]
Cp,gas	797.76	J/mol×K	821.27	Joback Calculated Property
Cp,gas	812.75	J/mol×K	854.62	Joback Calculated Property
Cp,gas	826.63	J/mol×K	887.96	Joback Calculated Property
Cp,gas	839.38	J/mol×K	921.31	Joback Calculated Property
Cp,gas	851.01	J/mol×K	954.65	Joback Calculated Property
Cp,gas	861.53	J/mol×K	988.00	Joback Calculated Property
Cp,gas	870.93	J/mol×K	1021.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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