Chemical Properties of 1H-Dibenz[a,kl]anthracene

InChI

InChI=1S/C21H14/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-9,11-13H,10H2

InChI Key

QPTSULCVUNNEFG-UHFFFAOYSA-N

Formula

C21H14

SMILES

C1=Cc2cccc3cc4ccc5ccccc5c4c(c23)C1

Molecular Weight¹

266.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[248.74; 641.48]	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			-1.35640e+02
Coefficient B			1.79220e+00
Coefficient C			-1.55468e-03
Coefficient D			5.39600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.74	J/mol×K	273.00	Calculated Property
Cp,gas	327.71	J/mol×K	353.78	Calculated Property
Cp,gas	393.87	J/mol×K	434.56	Calculated Property
Cp,gas	448.91	J/mol×K	515.33	Calculated Property
Cp,gas	494.56	J/mol×K	596.11	Calculated Property
Cp,gas	532.51	J/mol×K	676.89	Calculated Property
Cp,gas	564.47	J/mol×K	757.67	Calculated Property
Cp,gas	592.15	J/mol×K	838.44	Calculated Property
Cp,gas	617.25	J/mol×K	919.22	Calculated Property
Cp,gas	641.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040612; 0.0016874]	Pa×s	[422.00; 741.87]	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			-7.54322e+00
Coefficient B			8.59590e+02
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.			422.00
Temperature range, max.			741.87
η	0.0040612	Pa×s	422.00	Calculated Property
η	0.0034669	Pa×s	457.54	Calculated Property
η	0.0030278	Pa×s	493.08	Calculated Property
η	0.0026929	Pa×s	528.62	Calculated Property
η	0.0024307	Pa×s	564.17	Calculated Property
η	0.0022208	Pa×s	599.71	Calculated Property
η	0.0020497	Pa×s	635.25	Calculated Property
η	0.0019079	Pa×s	670.79	Calculated Property
η	0.0017887	Pa×s	706.33	Calculated Property
η	0.0016874	Pa×s	741.87	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Dibenz[a,kl]anthracene.

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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