Chemical Properties of Dinaphtho-[2,1,8-c,d,a:2',1',8'-nop]heptacene

InChI

InChI=1S/C42H22/c1-3-23-7-9-27-15-33-19-29-18-32-22-38-34(16-28-10-8-24-4-2-6-26-12-14-36(38)42(28)40(24)26)20-30(32)17-31(29)21-37(33)35-13-11-25(5-1)39(23)41(27)35/h1-22H

InChI Key

IQAQPYAQWJUAGG-UHFFFAOYSA-N

Formula

C42H22

SMILES

c1cc2ccc3cc4cc5cc6cc7c(cc6cc5cc4c4ccc(c1)c2c34)cc1ccc2cccc3ccc7c1c23

Molecular Weight¹

526.64

Other Names

• Dinaphtho[2,1,8-c1d1a:2',1',8'-nop]heptacene

• 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	[1572.30; 2267.89]	J/mol×K	[1406.46; 1722.45]
Cp,gas	1572.30	J/mol×K	1406.46	Joback Calculated Property
Cp,gas	1656.41	J/mol×K	1459.12	Joback Calculated Property
Cp,gas	1751.83	J/mol×K	1511.79	Joback Calculated Property
Cp,gas	1859.63	J/mol×K	1564.45	Joback Calculated Property
Cp,gas	1980.86	J/mol×K	1617.12	Joback Calculated Property
Cp,gas	2116.59	J/mol×K	1669.78	Joback Calculated Property
Cp,gas	2267.89	J/mol×K	1722.45	Joback Calculated Property
η	[0.1356723; 0.1425859]	Pa×s	[1041.76; 1406.46]
η	0.1425859	Pa×s	1041.76	Joback Calculated Property
η	0.1410871	Pa×s	1102.54	Joback Calculated Property
η	0.1397583	Pa×s	1163.33	Joback Calculated Property
η	0.1385722	Pa×s	1224.11	Joback Calculated Property
η	0.1375070	Pa×s	1284.89	Joback Calculated Property
η	0.1365451	Pa×s	1345.68	Joback Calculated Property
η	0.1356723	Pa×s	1406.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dinaphtho-[2,1,8-c,d,a:2',1',8'-nop]heptacene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.