Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C18H24O5/c1-13(2)10-11-22-17(19)6-5-7-18(20)23-16-12-14(3)8-9-15(16)21-4/h8-10,12H,5-7,11H2,1-4H3

InChI Key

FQNHBYPALNGZPL-UHFFFAOYSA-N

Formula

C18H24O5

SMILES

COc1ccc(C)cc1OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

320.38

• 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	0.8619		Relay (... Calculated Property
ΔfG°	-307.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-834.02	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.29	kJ/mol	Joback Calculated Property
ΔvapH°	96.66	kJ/mol	Relay (... Calculated Property
IE	7.75	eV	Relay (... Calculated Property
log10WS	-3.87		Relay (... Calculated Property
logPoct/wat	3.589		Crippen Calculated Property
McVol	257.170	ml/mol	McGowan Calculated Property
Pc	1583.49	kPa	Joback Calculated Property
Inp	[2355.00; 2355.00]
Inp	2355.00		NIST
Inp	2355.00		NIST
Tboil	635.42	K	Relay (... Calculated Property
Tc	831.75	K	Relay (... Calculated Property
Tfus	322.52	K	Relay (... Calculated Property
Vc	0.935	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.66; 835.53]	J/mol×K	[826.92; 1034.45]
Cp,gas	762.66	J/mol×K	826.92	Joback Calculated Property
Cp,gas	777.46	J/mol×K	861.51	Joback Calculated Property
Cp,gas	791.19	J/mol×K	896.10	Joback Calculated Property
Cp,gas	803.84	J/mol×K	930.68	Joback Calculated Property
Cp,gas	815.45	J/mol×K	965.27	Joback Calculated Property
Cp,gas	826.00	J/mol×K	999.86	Joback Calculated Property
Cp,gas	835.53	J/mol×K	1034.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 5-methyl-2-methoxybenzyl ester.

Sources

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

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