Chemical Properties of Benzo(a)pyrene, 7,8-dihydro- (CAS 17573-23-8)

InChI

InChI=1S/C20H14/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h2-3,5-12H,1,4H2

InChI Key

PDZWPBIJXRAPEW-UHFFFAOYSA-N

Formula

C20H14

SMILES

C1=Cc2c(cc3ccc4cccc5ccc2c3c45)CC1

Molecular Weight¹

254.33

CAS

17573-23-8

Other Names

• 7,8-Dihydrobenzo(a)pyrene
• Dihydrobenzo[a]pyrene

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 formation 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	[238.89; 619.41]	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			-1.37390e+02
Coefficient B			1.76280e+00
Coefficient C			-1.55940e-03
Coefficient D			5.53400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.89	J/mol×K	273.00	Calculated Property
Cp,gas	315.58	J/mol×K	353.78	Calculated Property
Cp,gas	379.58	J/mol×K	434.56	Calculated Property
Cp,gas	432.65	J/mol×K	515.33	Calculated Property
Cp,gas	476.53	J/mol×K	596.11	Calculated Property
Cp,gas	512.98	J/mol×K	676.89	Calculated Property
Cp,gas	543.74	J/mol×K	757.67	Calculated Property
Cp,gas	570.56	J/mol×K	838.44	Calculated Property
Cp,gas	595.20	J/mol×K	919.22	Calculated Property
Cp,gas	619.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032582; 0.0022784]	Pa×s	[515.46; 720.53]	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			-6.98336e+00
Coefficient B			6.47820e+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.			515.46
Temperature range, max.			720.53
η	0.0032582	Pa×s	515.46	Calculated Property
η	0.0030894	Pa×s	538.25	Calculated Property
η	0.0029420	Pa×s	561.03	Calculated Property
η	0.0028124	Pa×s	583.82	Calculated Property
η	0.0026975	Pa×s	606.60	Calculated Property
η	0.0025952	Pa×s	629.39	Calculated Property
η	0.0025036	Pa×s	652.18	Calculated Property
η	0.0024210	Pa×s	674.96	Calculated Property
η	0.0023463	Pa×s	697.75	Calculated Property
η	0.0022784	Pa×s	720.53	Calculated Property

Similar Compounds

Find more compounds similar to Benzo(a)pyrene, 7,8-dihydro-.

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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