Chemical Properties of Dibenzo[b,tuv]picene (CAS 189-18-4)

InChI

InChI=1S/C28H16/c1-3-7-21-17(5-1)9-12-23-25-14-10-19-15-18-6-2-4-8-22(18)24-13-11-20(16-26(21)23)28(25)27(19)24/h1-16H

InChI Key

NVIAXPZVJZAHGU-UHFFFAOYSA-N

Formula

C28H16

SMILES

c1ccc2c(c1)ccc1c2cc2ccc3c4ccccc4cc4ccc1c2c43

Molecular Weight¹

352.43

CAS

189-18-4

• 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).
• 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).
• 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

Cheméo can also estimate 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	[325.23; 813.19]	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			-1.71170e+02
Coefficient B			2.34040e+00
Coefficient C			-2.12124e-03
Coefficient D			7.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.23	J/mol×K	273.00	Calculated Property
Cp,gas	425.20	J/mol×K	353.78	Calculated Property
Cp,gas	508.08	J/mol×K	434.56	Calculated Property
Cp,gas	576.30	J/mol×K	515.33	Calculated Property
Cp,gas	632.28	J/mol×K	596.11	Calculated Property
Cp,gas	678.43	J/mol×K	676.89	Calculated Property
Cp,gas	717.18	J/mol×K	757.67	Calculated Property
Cp,gas	750.94	J/mol×K	838.44	Calculated Property
Cp,gas	782.14	J/mol×K	919.22	Calculated Property
Cp,gas	813.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086256; 0.0071353]	Pa×s	[696.82; 890.49]	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			-5.62513e+00
Coefficient B			6.07700e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			696.82
Temperature range, max.			890.49
η	0.0086256	Pa×s	696.82	Calculated Property
η	0.0084031	Pa×s	718.34	Calculated Property
η	0.0081989	Pa×s	739.86	Calculated Property
η	0.0080108	Pa×s	761.38	Calculated Property
η	0.0078369	Pa×s	782.89	Calculated Property
η	0.0076759	Pa×s	804.41	Calculated Property
η	0.0075263	Pa×s	825.93	Calculated Property
η	0.0073870	Pa×s	847.45	Calculated Property
η	0.0072569	Pa×s	868.97	Calculated Property
η	0.0071353	Pa×s	890.49	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[b,tuv]picene.

Sources

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

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