Chemical Properties of 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C17H20O3/c1-13(10-11-19-2)12-20-17(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13H,10-12H2,1-2H3

InChI Key

UICKNFHOMVIQLO-UHFFFAOYSA-N

Formula

C17H20O3

SMILES

COCCC(C)COC(=O)c1cccc2ccccc12

Molecular Weight¹

272.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-429.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.49	kJ/mol	Joback Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.669		Crippen Calculated Property
McVol	220.480	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2259.00; 2259.00]
Inp	2259.00		NIST
Inp	2259.00		NIST
Tboil	653.22	K	Relay (1.0) Calculated Property
Tfus	280.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[613.29; 693.48]	J/mol×K	[719.40; 934.10]
Cp,gas	613.29	J/mol×K	719.40	Joback Calculated Property
Cp,gas	629.30	J/mol×K	755.18	Joback Calculated Property
Cp,gas	644.20	J/mol×K	790.97	Joback Calculated Property
Cp,gas	658.01	J/mol×K	826.75	Joback Calculated Property
Cp,gas	670.80	J/mol×K	862.54	Joback Calculated Property
Cp,gas	682.61	J/mol×K	898.32	Joback Calculated Property
Cp,gas	693.48	J/mol×K	934.10	Joback Calculated Property
η	[0.0001246; 0.0013025]	Pa×s	[402.55; 719.40]
η	0.0013025	Pa×s	402.55	Joback Calculated Property
η	0.0007021	Pa×s	455.36	Joback Calculated Property
η	0.0004303	Pa×s	508.17	Joback Calculated Property
η	0.0002892	Pa×s	560.98	Joback Calculated Property
η	0.0002081	Pa×s	613.78	Joback Calculated Property
η	0.0001578	Pa×s	666.59	Joback Calculated Property
η	0.0001246	Pa×s	719.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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