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

InChI

InChI=1S/C18H24O4/c1-15(2)11-13-21-17(19)9-6-10-18(20)22-14-12-16-7-4-3-5-8-16/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3

InChI Key

CZJIYNHLEVCWMH-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCc1ccccc1

Molecular Weight¹

304.38

• 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°	-183.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.49	kJ/mol	Joback Calculated Property
ΔfusH°	40.88	kJ/mol	Joback Calculated Property
ΔvapH°	76.29	kJ/mol	Joback Calculated Property
log10WS	-4.04		Crippen Calculated Property
logPoct/wat	3.452		Crippen Calculated Property
McVol	251.300	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[2244.00; 2244.00]
Inp	2244.00		NIST
Inp	2244.00		NIST
Tboil	794.54	K	Joback Calculated Property
Tc	1000.83	K	Joback Calculated Property
Tfus	444.32	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.20; 813.87]	J/mol×K	[794.54; 1000.83]
Cp,gas	736.20	J/mol×K	794.54	Joback Calculated Property
Cp,gas	751.62	J/mol×K	828.92	Joback Calculated Property
Cp,gas	766.01	J/mol×K	863.30	Joback Calculated Property
Cp,gas	779.39	J/mol×K	897.68	Joback Calculated Property
Cp,gas	791.80	J/mol×K	932.06	Joback Calculated Property
Cp,gas	803.28	J/mol×K	966.44	Joback Calculated Property
Cp,gas	813.87	J/mol×K	1000.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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