Chemical Properties of Benzo[1,2,3-cd:4,5,6-c'd']diperylene (CAS 188-73-8)

InChI

InChI=1S/C40H20/c1-5-21-6-2-10-24-28-14-18-32-34-20-16-30-26-12-4-8-22-7-3-11-25(36(22)26)29-15-19-33(40(34)38(29)30)31-17-13-27(37(28)39(31)32)23(9-1)35(21)24/h1-20H

InChI Key

GGVMPKQSTZIOIU-UHFFFAOYSA-N

Formula

C40H20

SMILES

c1cc2cccc3c4ccc5c6ccc7c8cccc9cccc(c%10ccc(c%11ccc(c(c1)c23)c4c%115)c6c%107)c98

Molecular Weight¹

500.59

CAS

188-73-8

Other Names

• Benzo(1,2,3-cd;4,5,6-c'd')diperylene

• 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	[458.53; 1112.47]	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			-2.45730e+02
Coefficient B			3.37800e+00
Coefficient C			-3.26380e-03
Coefficient D			1.24400e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	458.53	J/mol×K	273.00	Calculated Property
Cp,gas	595.92	J/mol×K	353.78	Calculated Property
Cp,gas	707.95	J/mol×K	434.56	Calculated Property
Cp,gas	798.55	J/mol×K	515.33	Calculated Property
Cp,gas	871.66	J/mol×K	596.11	Calculated Property
Cp,gas	931.21	J/mol×K	676.89	Calculated Property
Cp,gas	981.13	J/mol×K	757.67	Calculated Property
Cp,gas	1025.35	J/mol×K	838.44	Calculated Property
Cp,gas	1067.82	J/mol×K	919.22	Calculated Property
Cp,gas	1112.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.3335825; 0.3459415]	Pa×s	[1025.50; 1161.02]	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			-7.86193e-01
Coefficient B			-3.19620e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			1025.50
Temperature range, max.			1161.02
η	0.3335825	Pa×s	1025.50	Calculated Property
η	0.3350904	Pa×s	1040.56	Calculated Property
η	0.3365618	Pa×s	1055.61	Calculated Property
η	0.3379980	Pa×s	1070.67	Calculated Property
η	0.3394002	Pa×s	1085.73	Calculated Property
η	0.3407697	Pa×s	1100.79	Calculated Property
η	0.3421075	Pa×s	1115.84	Calculated Property
η	0.3434147	Pa×s	1130.90	Calculated Property
η	0.3446924	Pa×s	1145.96	Calculated Property
η	0.3459415	Pa×s	1161.02	Calculated Property

Similar Compounds

Find more compounds similar to Benzo[1,2,3-cd:4,5,6-c'd']diperylene.

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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