Chemical Properties of Heptahelicene

InChI

InChI=1S/C30H18/c1-2-6-20-10-24-14-28-18-30-16-26-12-22-8-4-3-7-21(22)11-25(26)15-29(30)17-27(28)13-23(24)9-19(20)5-1/h1-18H

InChI Key

KDEZIUOWTXJEJK-UHFFFAOYSA-N

Formula

C30H18

SMILES

c1ccc2cc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc3cc2c1

Molecular Weight¹

378.46

• 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	0.7712		Relay (1.0) Calculated Property
ΔfG°	905.88	kJ/mol	Joback Calculated Property
ΔfH°gas	485.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.67	kJ/mol	Joback Calculated Property
ΔvapH°	185.65	kJ/mol	Relay (1.0) Calculated Property
IE	6.39	eV	Relay (1.0) Calculated Property
log10WS	-12.79		Relay (1.0) Calculated Property
logPoct/wat	8.606		Crippen Calculated Property
McVol	293.040	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Inp	[3640.00; 3655.00]
Inp	3640.00		NIST
Inp	3655.00		NIST
Inp	3640.00		NIST
Inp	3655.00		NIST
Tboil	942.21	K	Relay (1.0) Calculated Property
Tc	1303.29	K	Relay (1.0) Calculated Property
Tfus	696.60	K	Relay (1.0) Calculated Property
Vc	1.116	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.40; 888.63]	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			-1.75450e+02
Coefficient B			2.45520e+00
Coefficient C			-2.12452e-03
Coefficient D			7.33400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.40	J/mol×K	273.00	Calculated Property
Cp,gas	459.72	J/mol×K	353.78	Calculated Property
Cp,gas	550.46	J/mol×K	434.56	Calculated Property
Cp,gas	625.96	J/mol×K	515.33	Calculated Property
Cp,gas	688.53	J/mol×K	596.11	Calculated Property
Cp,gas	740.49	J/mol×K	676.89	Calculated Property
Cp,gas	784.16	J/mol×K	757.67	Calculated Property
Cp,gas	821.86	J/mol×K	838.44	Calculated Property
Cp,gas	855.91	J/mol×K	919.22	Calculated Property
Cp,gas	888.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046199; 0.0031892]	Pa×s	[713.08; 931.51]	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			-6.95785e+00
Coefficient B			1.12700e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			713.08
Temperature range, max.			931.51
η	0.0046199	Pa×s	713.08	Calculated Property
η	0.0043857	Pa×s	737.35	Calculated Property
η	0.0041772	Pa×s	761.62	Calculated Property
η	0.0039906	Pa×s	785.89	Calculated Property
η	0.0038228	Pa×s	810.16	Calculated Property
η	0.0036712	Pa×s	834.43	Calculated Property
η	0.0035337	Pa×s	858.70	Calculated Property
η	0.0034085	Pa×s	882.97	Calculated Property
η	0.0032941	Pa×s	907.24	Calculated Property
η	0.0031892	Pa×s	931.51	Calculated Property

Similar Compounds

Find more compounds similar to Heptahelicene.

Sources

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

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