Chemical Properties of 3,9-perylenedicarboxylic acid (CAS 6364-19-8)

InChI

InChI=1S/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)

InChI Key

SDPOODQJUWAHOW-UHFFFAOYSA-N

Formula

C22H12O4

SMILES

O=C(O)c1ccc2c3cccc4c(C(=O)O)ccc(c5cccc1c52)c43

Molecular Weight¹

340.33

CAS

6364-19-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[307.19; 706.77]	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			-9.36300e+01
Coefficient B			1.87940e+00
Coefficient C			-1.66660e-03
Coefficient D			5.87600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.19	J/mol×K	273.00	Calculated Property
Cp,gas	388.69	J/mol×K	353.78	Calculated Property
Cp,gas	456.57	J/mol×K	434.56	Calculated Property
Cp,gas	512.71	J/mol×K	515.33	Calculated Property
Cp,gas	558.95	J/mol×K	596.11	Calculated Property
Cp,gas	597.15	J/mol×K	676.89	Calculated Property
Cp,gas	629.18	J/mol×K	757.67	Calculated Property
Cp,gas	656.88	J/mol×K	838.44	Calculated Property
Cp,gas	682.13	J/mol×K	919.22	Calculated Property
Cp,gas	706.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025552; 0.0020784]	Pa×s	[885.00; 966.17]	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			-8.42807e+00
Coefficient B			2.17574e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			885.00
Temperature range, max.			966.17
η	0.0025552	Pa×s	885.00	Calculated Property
η	0.0024926	Pa×s	894.02	Calculated Property
η	0.0024328	Pa×s	903.04	Calculated Property
η	0.0023755	Pa×s	912.06	Calculated Property
η	0.0023207	Pa×s	921.08	Calculated Property
η	0.0022681	Pa×s	930.09	Calculated Property
η	0.0022177	Pa×s	939.11	Calculated Property
η	0.0021694	Pa×s	948.13	Calculated Property
η	0.0021230	Pa×s	957.15	Calculated Property
η	0.0020784	Pa×s	966.17	Calculated Property

Similar Compounds

Find more compounds similar to 3,9-perylenedicarboxylic 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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