Chemical Properties of 1H-Cyclopenta[e]pyrene (CAS 109587-09-9)

InChI

InChI=1S/C19H12/c1-4-12-10-11-13-5-2-9-17-15-7-3-6-14(15)16(8-1)18(12)19(13)17/h1-6,8-11H,7H2

InChI Key

LQRLWABODDHYFM-UHFFFAOYSA-N

Formula

C19H12

SMILES

C1=Cc2c(c3cccc4ccc5cccc2c5c43)C1

Molecular Weight¹

240.30

CAS

109587-09-9

• 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).
• 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, 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	[222.57; 566.04]	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			-1.31360e+02
Coefficient B			1.67740e+00
Coefficient C			-1.55140e-03
Coefficient D			5.71400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.57	J/mol×K	273.00	Calculated Property
Cp,gas	293.20	J/mol×K	353.78	Calculated Property
Cp,gas	351.49	J/mol×K	434.56	Calculated Property
Cp,gas	399.26	J/mol×K	515.33	Calculated Property
Cp,gas	438.31	J/mol×K	596.11	Calculated Property
Cp,gas	470.45	J/mol×K	676.89	Calculated Property
Cp,gas	497.48	J/mol×K	757.67	Calculated Property
Cp,gas	521.22	J/mol×K	838.44	Calculated Property
Cp,gas	543.47	J/mol×K	919.22	Calculated Property
Cp,gas	566.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038035; 0.0031635]	Pa×s	[507.71; 700.15]	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			-6.24209e+00
Coefficient B			3.40290e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			507.71
Temperature range, max.			700.15
η	0.0038035	Pa×s	507.71	Calculated Property
η	0.0037018	Pa×s	529.09	Calculated Property
η	0.0036105	Pa×s	550.47	Calculated Property
η	0.0035280	Pa×s	571.86	Calculated Property
η	0.0034531	Pa×s	593.24	Calculated Property
η	0.0033849	Pa×s	614.62	Calculated Property
η	0.0033225	Pa×s	636.00	Calculated Property
η	0.0032652	Pa×s	657.38	Calculated Property
η	0.0032123	Pa×s	678.76	Calculated Property
η	0.0031635	Pa×s	700.15	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Cyclopenta[e]pyrene.

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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