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

• 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).
• 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
ΔfG°	25.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-119.68	kJ/mol	Joback Calculated Property
ΔfusH°	20.29	kJ/mol	Joback Calculated Property
ΔvapH°	56.04	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.626		Crippen Calculated Property
McVol	144.160	ml/mol	McGowan Calculated Property
Pc	3217.33	kPa	Joback Calculated Property
Inp	[276.70; 1632.00]
Inp	1632.00		NIST
Inp	1625.00		NIST
Inp	276.70		NIST
Inp	1632.00		NIST
Tboil	600.89	K	Joback Calculated Property
Tc	836.14	K	Joback Calculated Property
Tfus	368.80	K	Joback Calculated Property
Vc	0.545	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.63; 402.88]	J/mol×K	[600.89; 836.14]
Cp,gas	336.63	J/mol×K	600.89	Joback Calculated Property
Cp,gas	349.90	J/mol×K	640.10	Joback Calculated Property
Cp,gas	362.21	J/mol×K	679.31	Joback Calculated Property
Cp,gas	373.60	J/mol×K	718.51	Joback Calculated Property
Cp,gas	384.14	J/mol×K	757.72	Joback Calculated Property
Cp,gas	393.88	J/mol×K	796.93	Joback Calculated Property
Cp,gas	402.88	J/mol×K	836.14	Joback Calculated Property
η	[0.0002966; 0.0014170]	Pa×s	[368.80; 600.89]
η	0.0014170	Pa×s	368.80	Joback Calculated Property
η	0.0009648	Pa×s	407.48	Joback Calculated Property
η	0.0007022	Pa×s	446.16	Joback Calculated Property
η	0.0005377	Pa×s	484.85	Joback Calculated Property
η	0.0004282	Pa×s	523.53	Joback Calculated Property
η	0.0003519	Pa×s	562.21	Joback Calculated Property
η	0.0002966	Pa×s	600.89	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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