Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester

InChI

InChI=1S/C21H24O4/c1-16(2)12-13-24-20(22)8-5-9-21(23)25-15-17-10-11-18-6-3-4-7-19(18)14-17/h3-4,6-7,10-12,14H,5,8-9,13,15H2,1-2H3

InChI Key

JNVXIZRFEBOSQH-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

340.41

• 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	0.8441		Relay (1.0) Calculated Property
ΔfG°	-60.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-587.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.28	kJ/mol	Joback Calculated Property
ΔvapH°	112.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.563		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Pc	1569.72	kPa	Joback Calculated Property
Inp	[2792.00; 2792.00]
Inp	2792.00		NIST
Inp	2792.00		NIST
Tboil	693.58	K	Relay (1.0) Calculated Property
Tc	915.51	K	Relay (1.0) Calculated Property
Tfus	334.97	K	Relay (1.0) Calculated Property
Vc	0.992	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.17; 906.37]	J/mol×K	[887.14; 1107.39]
Cp,gas	833.17	J/mol×K	887.14	Joback Calculated Property
Cp,gas	847.66	J/mol×K	923.85	Joback Calculated Property
Cp,gas	861.14	J/mol×K	960.56	Joback Calculated Property
Cp,gas	873.68	J/mol×K	997.27	Joback Calculated Property
Cp,gas	885.35	J/mol×K	1033.98	Joback Calculated Property
Cp,gas	896.22	J/mol×K	1070.68	Joback Calculated Property
Cp,gas	906.37	J/mol×K	1107.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester.

Sources

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

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