Chemical Properties of 7-Methyldibenzo(a,h)pyrene

InChI

InChI=1S/C25H16/c1-15-18-7-4-5-9-21(18)23-11-10-17-14-16-6-2-3-8-20(16)22-13-12-19(15)25(23)24(17)22/h2-14H,1H3

InChI Key

AIGLSXACYSPHLX-UHFFFAOYSA-N

Formula

C25H16

SMILES

Cc1c2ccccc2c2ccc3cc4ccccc4c4ccc1c2c34

Molecular Weight¹

316.40

• 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	[302.59; 749.20]	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			-1.37000e+02
Coefficient B			2.05912e+00
Coefficient C			-1.82132e-03
Coefficient D			6.48400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.59	J/mol×K	273.00	Calculated Property
Cp,gas	392.23	J/mol×K	353.78	Calculated Property
Cp,gas	467.07	J/mol×K	434.56	Calculated Property
Cp,gas	529.19	J/mol×K	515.33	Calculated Property
Cp,gas	580.61	J/mol×K	596.11	Calculated Property
Cp,gas	623.40	J/mol×K	676.89	Calculated Property
Cp,gas	659.60	J/mol×K	757.67	Calculated Property
Cp,gas	691.27	J/mol×K	838.44	Calculated Property
Cp,gas	720.45	J/mol×K	919.22	Calculated Property
Cp,gas	749.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051440; 0.0040843]	Pa×s	[630.31; 822.29]	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			-6.25798e+00
Coefficient B			6.22780e+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.			630.31
Temperature range, max.			822.29
η	0.0051440	Pa×s	630.31	Calculated Property
η	0.0049803	Pa×s	651.64	Calculated Property
η	0.0048316	Pa×s	672.97	Calculated Property
η	0.0046962	Pa×s	694.30	Calculated Property
η	0.0045723	Pa×s	715.64	Calculated Property
η	0.0044586	Pa×s	736.97	Calculated Property
η	0.0043538	Pa×s	758.30	Calculated Property
η	0.0042571	Pa×s	779.63	Calculated Property
η	0.0041675	Pa×s	800.96	Calculated Property
η	0.0040843	Pa×s	822.29	Calculated Property

Similar Compounds

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

Sources

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

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