Chemical Properties of 1,6-Naphthalenedicarboxylic acid

InChI

InChI=1S/C12H8O4/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)

InChI Key

VAWFFNJAPKXVPH-UHFFFAOYSA-N

Formula

C12H8O4

SMILES

O=C(O)c1ccc2c(C(=O)O)cccc2c1

Molecular Weight¹

216.19

Other Names

• naphthalene-1,6-dicarboxylic acid

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.14; 444.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.55700e+01
Coefficient B			1.04380e+00
Coefficient C			-8.08040e-04
Coefficient D			2.44400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.14	J/mol×K	273.00	Calculated Property
Cp,gas	243.39	J/mol×K	353.78	Calculated Property
Cp,gas	285.49	J/mol×K	434.56	Calculated Property
Cp,gas	321.19	J/mol×K	515.33	Calculated Property
Cp,gas	351.29	J/mol×K	596.11	Calculated Property
Cp,gas	376.54	J/mol×K	676.89	Calculated Property
Cp,gas	397.72	J/mol×K	757.67	Calculated Property
Cp,gas	415.61	J/mol×K	838.44	Calculated Property
Cp,gas	430.97	J/mol×K	919.22	Calculated Property
Cp,gas	444.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006095; 0.0003194]	Pa×s	[630.36; 746.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15458e+01
Coefficient B			2.61158e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			630.36
Temperature range, max.			746.84
η	0.0006095	Pa×s	630.36	Calculated Property
η	0.0005608	Pa×s	643.30	Calculated Property
η	0.0005176	Pa×s	656.24	Calculated Property
η	0.0004793	Pa×s	669.19	Calculated Property
η	0.0004451	Pa×s	682.13	Calculated Property
η	0.0004145	Pa×s	695.07	Calculated Property
η	0.0003869	Pa×s	708.01	Calculated Property
η	0.0003622	Pa×s	720.95	Calculated Property
η	0.0003397	Pa×s	733.89	Calculated Property
η	0.0003194	Pa×s	746.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Naphthalenedicarboxylic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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