Chemical Properties of [14]Helicene (CAS 57483-71-3)

InChI

InChI=1S/C58H32/c1-3-7-46-33(5-1)9-11-35-13-15-37-17-19-39-21-23-41-25-27-43-29-31-45-32-30-44-28-26-42-24-22-40-20-18-38-16-14-36-12-10-34-6-2-4-8-47(34)49(36)51(38)53(40)55(42)57(44)58(45)56(43)54(41)52(39)50(37)48(35)46/h1-32H

InChI Key

FYHJTLVERBIHKT-UHFFFAOYSA-N

Formula

C58H32

SMILES

c1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccc8ccc9ccc%10ccc%11ccc%12ccc%13ccccc%13c%12c%11c%10c9c8c7c6c5c4c3c12

Molecular Weight¹

728.87

CAS

57483-71-3

Other Names

• Diphenanthro[4,3-g:4',3'-g']naphtho[2,1-c:7,8-c']diphenanthrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.26; 1676.41]	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			-3.20910e+02
Coefficient B			4.67280e+00
Coefficient C			-4.13548e-03
Coefficient D			1.46000e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	676.26	J/mol×K	273.00	Calculated Property
Cp,gas	879.28	J/mol×K	353.78	Calculated Property
Cp,gas	1048.55	J/mol×K	434.56	Calculated Property
Cp,gas	1188.70	J/mol×K	515.33	Calculated Property
Cp,gas	1304.33	J/mol×K	596.11	Calculated Property
Cp,gas	1400.07	J/mol×K	676.89	Calculated Property
Cp,gas	1480.53	J/mol×K	757.67	Calculated Property
Cp,gas	1550.33	J/mol×K	838.44	Calculated Property
Cp,gas	1614.08	J/mol×K	919.22	Calculated Property
Cp,gas	1676.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0925601; 0.0775707]	Pa×s	[1345.18; 1640.07]	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			-3.36247e+00
Coefficient B			1.32174e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			1345.18
Temperature range, max.			1640.07
η	0.0925601	Pa×s	1345.18	Calculated Property
η	0.0904226	Pa×s	1377.95	Calculated Property
η	0.0884304	Pa×s	1410.71	Calculated Property
η	0.0865696	Pa×s	1443.48	Calculated Property
η	0.0848280	Pa×s	1476.24	Calculated Property
η	0.0831948	Pa×s	1509.01	Calculated Property
η	0.0816605	Pa×s	1541.77	Calculated Property
η	0.0802166	Pa×s	1574.54	Calculated Property
η	0.0788556	Pa×s	1607.30	Calculated Property
η	0.0775707	Pa×s	1640.07	Calculated Property

Similar Compounds

Find more compounds similar to [14]Helicene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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