Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 4-acetylphenyl ester

InChI

InChI=1S/C18H22O5/c1-13(2)11-12-22-17(20)5-4-6-18(21)23-16-9-7-15(8-10-16)14(3)19/h7-11H,4-6,12H2,1-3H3

InChI Key

XJXYBPFTKARXOU-UHFFFAOYSA-N

Formula

C18H22O5

SMILES

CC(=O)c1ccc(OC(=O)CCCC(=O)OCC=C(C)C)cc1

Molecular Weight¹

318.36

• 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°	-321.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.54	kJ/mol	Joback Calculated Property
ΔfusH°	42.09	kJ/mol	Joback Calculated Property
ΔvapH°	83.70	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	3.474		Crippen Calculated Property
McVol	252.870	ml/mol	McGowan Calculated Property
Pc	1710.36	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	853.39	K	Joback Calculated Property
Tc	1067.21	K	Joback Calculated Property
Tfus	506.77	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.32; 816.62]	J/mol×K	[853.39; 1067.21]
Cp,gas	750.32	J/mol×K	853.39	Joback Calculated Property
Cp,gas	763.91	J/mol×K	889.03	Joback Calculated Property
Cp,gas	776.45	J/mol×K	924.66	Joback Calculated Property
Cp,gas	787.96	J/mol×K	960.30	Joback Calculated Property
Cp,gas	798.47	J/mol×K	995.94	Joback Calculated Property
Cp,gas	808.01	J/mol×K	1031.57	Joback Calculated Property
Cp,gas	816.62	J/mol×K	1067.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 4-acetylphenyl ester.

Sources

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

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