Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C18H24O6/c1-13(2)11-12-23-16(19)9-6-10-17(20)24-18-14(21-3)7-5-8-15(18)22-4/h5,7-8,11H,6,9-10,12H2,1-4H3

InChI Key

LDAUSDOFRLOBPS-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

336.38

• 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°	-412.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-847.87	kJ/mol	Joback Calculated Property
ΔfusH°	42.48	kJ/mol	Joback Calculated Property
ΔvapH°	82.43	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.289		Crippen Calculated Property
McVol	263.040	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[2460.00; 2460.00]
Inp	2460.00		NIST
Inp	2460.00		NIST
Tboil	849.34	K	Joback Calculated Property
Tc	1057.00	K	Joback Calculated Property
Tfus	513.82	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.70; 859.18]	J/mol×K	[849.34; 1057.00]
Cp,gas	790.70	J/mol×K	849.34	Joback Calculated Property
Cp,gas	805.01	J/mol×K	883.95	Joback Calculated Property
Cp,gas	818.16	J/mol×K	918.56	Joback Calculated Property
Cp,gas	830.16	J/mol×K	953.17	Joback Calculated Property
Cp,gas	841.00	J/mol×K	987.78	Joback Calculated Property
Cp,gas	850.67	J/mol×K	1022.39	Joback Calculated Property
Cp,gas	859.18	J/mol×K	1057.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dimethoxyphenyl ester.

Sources

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

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