Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2-methoxyphenyl ester

InChI

InChI=1S/C17H22O5/c1-13(2)11-12-21-16(18)9-6-10-17(19)22-15-8-5-4-7-14(15)20-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3

InChI Key

XXLAEWQJZUKYIX-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

COc1ccccc1OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

306.35

• 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°	-306.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.54	kJ/mol	Joback Calculated Property
ΔfusH°	39.09	kJ/mol	Joback Calculated Property
ΔvapH°	77.13	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.280		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	799.06	K	Joback Calculated Property
Tc	1006.83	K	Joback Calculated Property
Tfus	467.80	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.73; 779.31]	J/mol×K	[799.06; 1006.83]
Cp,gas	706.73	J/mol×K	799.06	Joback Calculated Property
Cp,gas	721.38	J/mol×K	833.69	Joback Calculated Property
Cp,gas	735.00	J/mol×K	868.32	Joback Calculated Property
Cp,gas	747.58	J/mol×K	902.94	Joback Calculated Property
Cp,gas	759.15	J/mol×K	937.57	Joback Calculated Property
Cp,gas	769.72	J/mol×K	972.20	Joback Calculated Property
Cp,gas	779.31	J/mol×K	1006.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2-methoxyphenyl ester.

Sources

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

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