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

InChI

InChI=1S/C21H26O4/c1-15(2)16(3)25-21(23)10-6-9-20(22)24-14-17-11-12-18-7-4-5-8-19(18)13-17/h4-5,7-8,11-13,15-16H,6,9-10,14H2,1-3H3

InChI Key

LJRVOYBPZHUTAZ-UHFFFAOYSA-N

Formula

C21H26O4

SMILES

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

Molecular Weight¹

342.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8604		Relay (1.0) Calculated Property
ΔfG°	-137.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-689.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.34	kJ/mol	Joback Calculated Property
ΔvapH°	107.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	4.641		Crippen Calculated Property
McVol	278.410	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[2672.00; 2672.00]
Inp	2672.00		NIST
Inp	2672.00		NIST
Tboil	679.81	K	Relay (1.0) Calculated Property
Tc	906.51	K	Relay (1.0) Calculated Property
Tfus	339.10	K	Relay (1.0) Calculated Property
Vc	1.014	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.09; 935.64]	J/mol×K	[882.22; 1100.10]
Cp,gas	862.09	J/mol×K	882.22	Joback Calculated Property
Cp,gas	877.05	J/mol×K	918.53	Joback Calculated Property
Cp,gas	890.86	J/mol×K	954.85	Joback Calculated Property
Cp,gas	903.57	J/mol×K	991.16	Joback Calculated Property
Cp,gas	915.23	J/mol×K	1027.47	Joback Calculated Property
Cp,gas	925.91	J/mol×K	1063.79	Joback Calculated Property
Cp,gas	935.64	J/mol×K	1100.10	Joback Calculated Property
η	[0.0000796; 0.0007768]	Pa×s	[512.39; 882.22]
η	0.0007768	Pa×s	512.39	Joback Calculated Property
η	0.0004334	Pa×s	574.03	Joback Calculated Property
η	0.0002707	Pa×s	635.67	Joback Calculated Property
η	0.0001838	Pa×s	697.31	Joback Calculated Property
η	0.0001329	Pa×s	758.94	Joback Calculated Property
η	0.0001009	Pa×s	820.58	Joback Calculated Property
η	0.0000796	Pa×s	882.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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