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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.70; 1187.91]	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			-2.50010e+02
Coefficient B			3.49280e+00
Coefficient C			-3.26708e-03
Coefficient D			1.21220e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	484.70	J/mol×K	273.00	Calculated Property
Cp,gas	630.44	J/mol×K	353.78	Calculated Property
Cp,gas	750.33	J/mol×K	434.56	Calculated Property
Cp,gas	848.21	J/mol×K	515.33	Calculated Property
Cp,gas	927.91	J/mol×K	596.11	Calculated Property
Cp,gas	993.27	J/mol×K	676.89	Calculated Property
Cp,gas	1048.11	J/mol×K	757.67	Calculated Property
Cp,gas	1096.28	J/mol×K	838.44	Calculated Property
Cp,gas	1141.60	J/mol×K	919.22	Calculated Property
Cp,gas	1187.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1425859; 0.1389175]	Pa×s	[1041.76; 1205.71]	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			-2.13949e+00
Coefficient B			1.99680e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			1041.76
Temperature range, max.			1205.71
η	0.1425859	Pa×s	1041.76	Calculated Property
η	0.1421169	Pa×s	1059.98	Calculated Property
η	0.1416653	Pa×s	1078.19	Calculated Property
η	0.1412301	Pa×s	1096.41	Calculated Property
η	0.1408103	Pa×s	1114.63	Calculated Property
η	0.1404052	Pa×s	1132.85	Calculated Property
η	0.1400141	Pa×s	1151.06	Calculated Property
η	0.1396362	Pa×s	1169.28	Calculated Property
η	0.1392709	Pa×s	1187.50	Calculated Property
η	0.1389175	Pa×s	1205.71	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

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