Chemical Properties of 1H-Benzo[ghi]cyclopenta[pqr]perylene (CAS 64503-02-2)

InChI

InChI=1S/C23H12/c1-2-13-4-6-15-8-10-17-11-16-9-7-14-5-3-12(1)18-19(13)21(15)23(17)22(16)20(14)18/h1-10H,11H2

InChI Key

VLWBVWWYQNHWKN-UHFFFAOYSA-N

Formula

C23H12

SMILES

c1cc2ccc3ccc4ccc5ccc6c7c(c1C6)c2c3c4c57

Molecular Weight¹

288.34

CAS

64503-02-2

• 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).
• 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, 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	[263.05; 640.24]	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			-1.64360e+02
Coefficient B			2.08140e+00
Coefficient C			-2.11940e-03
Coefficient D			8.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.05	J/mol×K	273.00	Calculated Property
Cp,gas	344.04	J/mol×K	353.78	Calculated Property
Cp,gas	409.04	J/mol×K	434.56	Calculated Property
Cp,gas	460.72	J/mol×K	515.33	Calculated Property
Cp,gas	501.75	J/mol×K	596.11	Calculated Property
Cp,gas	534.77	J/mol×K	676.89	Calculated Property
Cp,gas	562.47	J/mol×K	757.67	Calculated Property
Cp,gas	587.51	J/mol×K	838.44	Calculated Property
Cp,gas	612.54	J/mol×K	919.22	Calculated Property
Cp,gas	640.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0336473; 0.0396314]	Pa×s	[655.79; 787.29]	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			-2.41183e+00
Coefficient B			-6.42670e+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.			655.79
Temperature range, max.			787.29
η	0.0336473	Pa×s	655.79	Calculated Property
η	0.0343737	Pa×s	670.40	Calculated Property
η	0.0350838	Pa×s	685.01	Calculated Property
η	0.0357780	Pa×s	699.62	Calculated Property
η	0.0364567	Pa×s	714.23	Calculated Property
η	0.0371203	Pa×s	728.85	Calculated Property
η	0.0377691	Pa×s	743.46	Calculated Property
η	0.0384037	Pa×s	758.07	Calculated Property
η	0.0390243	Pa×s	772.68	Calculated Property
η	0.0396314	Pa×s	787.29	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Benzo[ghi]cyclopenta[pqr]perylene.

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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