Chemical Properties of 1,2-bis-(2-Tetrahelicenyl)ethylene, cis

InChI

InChI=1S/C38H24/c1-3-7-29-19-37-23-33-15-25(11-13-31(33)21-35(37)17-27(29)5-1)9-10-26-12-14-32-22-36-18-28-6-2-4-8-30(28)20-38(36)24-34(32)16-26/h1-24H/b10-9-

InChI Key

RSLYVBXLOJRYQE-KTKRTIGZSA-N

Formula

C38H24

SMILES

C(=Cc1ccc2cc3cc4ccccc4cc3cc2c1)c1ccc2cc3cc4ccccc4cc3cc2c1

Molecular Weight¹

480.60

• 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).
• 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
ΔfH°gas	632.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.24	kJ/mol	Joback Calculated Property
ΔvapH°	220.78	kJ/mol	Relay (1.0) Calculated Property
IE	6.31	eV	Relay (1.0) Calculated Property
log10WS	-14.84		Relay (1.0) Calculated Property
logPoct/wat	10.776		Crippen Calculated Property
McVol	377.700	ml/mol	McGowan Calculated Property
Pc	1301.41	kPa	Joback Calculated Property
Inp	[5000.00; 5000.00]
Inp	5000.00		NIST
Inp	5000.00		NIST
Inp	5000.00		NIST
Tboil	1033.99	K	Relay (1.0) Calculated Property
Tc	1444.64	K	Relay (1.0) Calculated Property
Tfus	728.86	K	Relay (1.0) Calculated Property
Vc	1.399	m3/kmol	Relay (1.0) Calculated Property

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	[452.40; 1149.21]	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			-2.16510e+02
Coefficient B			3.09680e+00
Coefficient C			-2.60768e-03
Coefficient D			8.76600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.40	J/mol×K	273.00	Calculated Property
Cp,gas	591.51	J/mol×K	353.78	Calculated Property
Cp,gas	708.73	J/mol×K	434.56	Calculated Property
Cp,gas	806.82	J/mol×K	515.33	Calculated Property
Cp,gas	888.58	J/mol×K	596.11	Calculated Property
Cp,gas	956.76	J/mol×K	676.89	Calculated Property
Cp,gas	1014.14	J/mol×K	757.67	Calculated Property
Cp,gas	1063.50	J/mol×K	838.44	Calculated Property
Cp,gas	1107.60	J/mol×K	919.22	Calculated Property
Cp,gas	1149.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025025; 0.0014885]	Pa×s	[837.10; 1096.43]	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			-8.18694e+00
Coefficient B			1.83868e+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.			837.10
Temperature range, max.			1096.43
η	0.0025025	Pa×s	837.10	Calculated Property
η	0.0023261	Pa×s	865.91	Calculated Property
η	0.0021724	Pa×s	894.73	Calculated Property
η	0.0020375	Pa×s	923.54	Calculated Property
η	0.0019184	Pa×s	952.36	Calculated Property
η	0.0018126	Pa×s	981.17	Calculated Property
η	0.0017183	Pa×s	1009.99	Calculated Property
η	0.0016336	Pa×s	1038.80	Calculated Property
η	0.0015574	Pa×s	1067.62	Calculated Property
η	0.0014885	Pa×s	1096.43	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-bis-(2-Tetrahelicenyl)ethylene, cis.

Sources

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

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