Chemical Properties of Perylo[3,2,1,12-pqrab]perylene (CAS 187-95-1)

InChI

InChI=1S/C34H16/c1-5-17-13-15-25-24-12-4-10-22-20-8-2-6-18-14-16-26-23-11-3-9-21-19(7-1)27(17)31(25)33(29(21)23)34(30(22)24)32(26)28(18)20/h1-16H

InChI Key

PLUKJIDMXDDKDC-UHFFFAOYSA-N

Formula

C34H16

SMILES

c1cc2ccc3c4cccc5c6cccc7ccc8c9cccc%10c(c1)c2c3c(c%109)c(c54)c8c76

Molecular Weight¹

424.49

CAS

187-95-1

• 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	[385.95; 924.49]	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			-2.20670e+02
Coefficient B			2.94640e+00
Coefficient C			-2.97324e-03
Coefficient D			1.17200e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.95	J/mol×K	273.00	Calculated Property
Cp,gas	501.47	J/mol×K	353.78	Calculated Property
Cp,gas	594.42	J/mol×K	434.56	Calculated Property
Cp,gas	668.50	J/mol×K	515.33	Calculated Property
Cp,gas	727.44	J/mol×K	596.11	Calculated Property
Cp,gas	774.92	J/mol×K	676.89	Calculated Property
Cp,gas	814.66	J/mol×K	757.67	Calculated Property
Cp,gas	850.36	J/mol×K	838.44	Calculated Property
Cp,gas	885.74	J/mol×K	919.22	Calculated Property
Cp,gas	924.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.4024121; 0.4439618]	Pa×s	[918.94; 1025.81]	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			3.29167e-02
Coefficient B			-8.66740e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			918.94
Temperature range, max.			1025.81
η	0.4024121	Pa×s	918.94	Calculated Property
η	0.4072832	Pa×s	930.81	Calculated Property
η	0.4120884	Pa×s	942.69	Calculated Property
η	0.4168286	Pa×s	954.56	Calculated Property
η	0.4215049	Pa×s	966.44	Calculated Property
η	0.4261182	Pa×s	978.31	Calculated Property
η	0.4306696	Pa×s	990.19	Calculated Property
η	0.4351600	Pa×s	1002.06	Calculated Property
η	0.4395904	Pa×s	1013.93	Calculated Property
η	0.4439618	Pa×s	1025.81	Calculated Property

Similar Compounds

Find more compounds similar to Perylo[3,2,1,12-pqrab]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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