Chemical Properties of 7,14-Dimethyldibenzo(a,h)pyrene (CAS 83439-54-7)

InChI

InChI=1S/C26H18/c1-15-17-7-3-5-9-21(17)23-14-12-20-16(2)18-8-4-6-10-22(18)24-13-11-19(15)25(23)26(20)24/h3-14H,1-2H3

InChI Key

IMTXKGSVVYLNNH-UHFFFAOYSA-N

Formula

C26H18

SMILES

Cc1c2ccccc2c2ccc3c(C)c4ccccc4c4ccc1c2c34

Molecular Weight¹

330.42

CAS

83439-54-7

• ω : Acentric Factor.
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.36; 797.75]	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			-1.23610e+02
Coefficient B			2.09464e+00
Coefficient C			-1.80868e-03
Coefficient D			6.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	326.36	J/mol×K	273.00	Calculated Property
Cp,gas	419.19	J/mol×K	353.78	Calculated Property
Cp,gas	497.22	J/mol×K	434.56	Calculated Property
Cp,gas	562.46	J/mol×K	515.33	Calculated Property
Cp,gas	616.91	J/mol×K	596.11	Calculated Property
Cp,gas	662.59	J/mol×K	676.89	Calculated Property
Cp,gas	701.50	J/mol×K	757.67	Calculated Property
Cp,gas	735.66	J/mol×K	838.44	Calculated Property
Cp,gas	767.07	J/mol×K	919.22	Calculated Property
Cp,gas	797.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049821; 0.0039813]	Pa×s	[654.10; 838.96]	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			-6.31961e+00
Coefficient B			6.65680e+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.			654.10
Temperature range, max.			838.96
η	0.0049821	Pa×s	654.10	Calculated Property
η	0.0048301	Pa×s	674.64	Calculated Property
η	0.0046913	Pa×s	695.18	Calculated Property
η	0.0045642	Pa×s	715.72	Calculated Property
η	0.0044473	Pa×s	736.26	Calculated Property
η	0.0043395	Pa×s	756.80	Calculated Property
η	0.0042398	Pa×s	777.34	Calculated Property
η	0.0041473	Pa×s	797.88	Calculated Property
η	0.0040614	Pa×s	818.42	Calculated Property
η	0.0039813	Pa×s	838.96	Calculated Property

Similar Compounds

Find more compounds similar to 7,14-Dimethyldibenzo(a,h)pyrene.

Sources

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

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