Chemical Properties of Glutaric acid, naphth-2-ylmethyl neopentyl ester

InChI

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

InChI Key

HTPIODHRONTVMT-UHFFFAOYSA-N

Formula

C21H26O4

SMILES

CC(C)(C)COC(=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	0.8777		Relay (1.0) Calculated Property
ΔfG°	-129.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.98	kJ/mol	Joback Calculated Property
ΔvapH°	107.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.643		Crippen Calculated Property
McVol	278.410	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2690.00; 2690.00]
Inp	2690.00		NIST
Inp	2690.00		NIST
Tboil	688.16	K	Relay (1.0) Calculated Property
Tc	907.82	K	Relay (1.0) Calculated Property
Tfus	377.83	K	Relay (1.0) Calculated Property
Vc	1.032	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[861.88; 936.71]	J/mol×K	[879.87; 1099.65]
Cp,gas	861.88	J/mol×K	879.87	Joback Calculated Property
Cp,gas	876.81	J/mol×K	916.50	Joback Calculated Property
Cp,gas	890.65	J/mol×K	953.13	Joback Calculated Property
Cp,gas	903.48	J/mol×K	989.76	Joback Calculated Property
Cp,gas	915.38	J/mol×K	1026.39	Joback Calculated Property
Cp,gas	926.43	J/mol×K	1063.02	Joback Calculated Property
Cp,gas	936.71	J/mol×K	1099.65	Joback Calculated Property
η	[0.0000742; 0.0005831]	Pa×s	[544.81; 879.87]
η	0.0005831	Pa×s	544.81	Joback Calculated Property
η	0.0003525	Pa×s	600.65	Joback Calculated Property
η	0.0002321	Pa×s	656.50	Joback Calculated Property
η	0.0001632	Pa×s	712.34	Joback Calculated Property
η	0.0001208	Pa×s	768.18	Joback Calculated Property
η	0.0000931	Pa×s	824.03	Joback Calculated Property
η	0.0000742	Pa×s	879.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl neopentyl ester.

Sources

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

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