Chemical Properties of 1-Naphthalenecarboxylic acid, methyl ester (CAS 2459-24-7)

InChI

InChI=1S/C12H10O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChI Key

HMRROBKAACRWBP-UHFFFAOYSA-N

Formula

C12H10O2

SMILES

COC(=O)c1cccc2ccccc12

Molecular Weight¹

186.21

CAS

2459-24-7

Other Names

• 1-Naphthoic acid, methyl ester
• Methyl 1-naphthalenecarboxylate
• Methyl 1-naphthoate
• 1-(Methoxycarbonyl)naphthalene

• 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	0.5243		Relay (1.0) Calculated Property
ΔfG°	-50.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.88	kJ/mol	Joback Calculated Property
ΔvapH°	78.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	2.626		Crippen Calculated Property
McVol	144.160	ml/mol	McGowan Calculated Property
Pc	3072.75	kPa	Joback Calculated Property
Inp	[276.70; 1632.00]
Inp	1632.00		NIST
Inp	1632.00		NIST
Inp	1625.00		NIST
Inp	276.70		NIST
Tboil	574.14	K	Relay (1.0) Calculated Property
Tc	832.37	K	Relay (1.0) Calculated Property
Tfus	304.55	K	Relay (1.0) Calculated Property
Vc	0.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.43; 400.91]	J/mol×K	[583.02; 816.09]
Cp,gas	333.43	J/mol×K	583.02	Joback Calculated Property
Cp,gas	347.09	J/mol×K	621.87	Joback Calculated Property
Cp,gas	359.71	J/mol×K	660.71	Joback Calculated Property
Cp,gas	371.35	J/mol×K	699.56	Joback Calculated Property
Cp,gas	382.06	J/mol×K	738.40	Joback Calculated Property
Cp,gas	391.89	J/mol×K	777.25	Joback Calculated Property
Cp,gas	400.91	J/mol×K	816.09	Joback Calculated Property
η	[0.0002638; 0.0017128]	Pa×s	[338.97; 583.02]
η	0.0017128	Pa×s	338.97	Joback Calculated Property
η	0.0010612	Pa×s	379.65	Joback Calculated Property
η	0.0007213	Pa×s	420.32	Joback Calculated Property
η	0.0005248	Pa×s	461.00	Joback Calculated Property
η	0.0004021	Pa×s	501.67	Joback Calculated Property
η	0.0003206	Pa×s	542.35	Joback Calculated Property
η	0.0002638	Pa×s	583.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenecarboxylic acid, methyl ester.

Sources

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

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