Chemical Properties of Nonahelicene

InChI

InChI=1S/C38H22/c1-2-6-24-10-28-14-32-18-36-22-38-20-34-16-30-12-26-8-4-3-7-25(26)11-29(30)15-33(34)19-37(38)21-35(36)17-31(32)13-27(28)9-23(24)5-1/h1-22H

InChI Key

UIFXPOUSHBMMEG-UHFFFAOYSA-N

Formula

C38H22

SMILES

c1ccc2cc3cc4cc5cc6cc7cc8cc9ccccc9cc8cc7cc6cc5cc4cc3cc2c1

Molecular Weight¹

478.58

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.9290		Relay (1.0) Calculated Property
ΔfG°	1167.28	kJ/mol	Joback Calculated Property
ΔfH°gas	609.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.65	kJ/mol	Joback Calculated Property
ΔvapH°	235.16	kJ/mol	Relay (1.0) Calculated Property
IE	5.92	eV	Relay (1.0) Calculated Property
log10WS	-16.00		Relay (1.0) Calculated Property
logPoct/wat	10.912		Crippen Calculated Property
McVol	366.840	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Inp	[4260.00; 4265.00]
Inp	4260.00		NIST
Inp	4265.00		NIST
Inp	4260.00		NIST
Inp	4265.00		NIST
Inp	4260.00		NIST
Tboil	1086.19	K	Relay (1.0) Calculated Property
Tc	1498.07	K	Relay (1.0) Calculated Property
Tfus	782.12	K	Relay (1.0) Calculated Property
Vc	1.395	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.22; 1113.71]	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			-2.17010e+02
Coefficient B			3.08880e+00
Coefficient C			-2.69908e-03
Coefficient D			9.41000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.22	J/mol×K	273.00	Calculated Property
Cp,gas	579.59	J/mol×K	353.78	Calculated Property
Cp,gas	692.77	J/mol×K	434.56	Calculated Property
Cp,gas	786.74	J/mol×K	515.33	Calculated Property
Cp,gas	864.47	J/mol×K	596.11	Calculated Property
Cp,gas	928.94	J/mol×K	676.89	Calculated Property
Cp,gas	983.12	J/mol×K	757.67	Calculated Property
Cp,gas	1030.00	J/mol×K	838.44	Calculated Property
Cp,gas	1072.53	J/mol×K	919.22	Calculated Property
Cp,gas	1113.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104640; 0.0081141]	Pa×s	[893.68; 1106.31]	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			-5.88315e+00
Coefficient B			1.18264e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			893.68
Temperature range, max.			1106.31
η	0.0104640	Pa×s	893.68	Calculated Property
η	0.0101134	Pa×s	917.31	Calculated Property
η	0.0097913	Pa×s	940.93	Calculated Property
η	0.0094944	Pa×s	964.56	Calculated Property
η	0.0092202	Pa×s	988.18	Calculated Property
η	0.0089661	Pa×s	1011.81	Calculated Property
η	0.0087301	Pa×s	1035.43	Calculated Property
η	0.0085105	Pa×s	1059.06	Calculated Property
η	0.0083056	Pa×s	1082.68	Calculated Property
η	0.0081141	Pa×s	1106.31	Calculated Property

Similar Compounds

Find more compounds similar to Nonahelicene.

Sources

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

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