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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1431.12; 2054.49]	J/mol×K	[1353.00; 1658.60]
Cp,gas	1431.12	J/mol×K	1353.00	Joback Calculated Property
Cp,gas	1506.10	J/mol×K	1403.93	Joback Calculated Property
Cp,gas	1591.33	J/mol×K	1454.87	Joback Calculated Property
Cp,gas	1687.80	J/mol×K	1505.80	Joback Calculated Property
Cp,gas	1796.49	J/mol×K	1556.73	Joback Calculated Property
Cp,gas	1918.39	J/mol×K	1607.66	Joback Calculated Property
Cp,gas	2054.49	J/mol×K	1658.60	Joback Calculated Property
η	[0.3335825; 0.3597222]	Pa×s	[1025.50; 1353.00]
η	0.3335825	Pa×s	1025.50	Joback Calculated Property
η	0.3388783	Pa×s	1080.08	Joback Calculated Property
η	0.3437369	Pa×s	1134.67	Joback Calculated Property
η	0.3482098	Pa×s	1189.25	Joback Calculated Property
η	0.3523408	Pa×s	1243.83	Joback Calculated Property
η	0.3561676	Pa×s	1298.42	Joback Calculated Property
η	0.3597222	Pa×s	1353.00	Joback 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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