Chemical Properties of 1-Phenyl-2-(2-hexahelicenyl)ethylene, trans

InChI

InChI=1S/C34H22/c1-2-7-23(8-3-1)13-14-24-11-6-12-27-17-30-20-31-18-28-15-25-9-4-5-10-26(25)16-29(28)19-32(31)21-33(30)22-34(24)27/h1-22H/b14-13+

InChI Key

AEXQMPNELWCXDO-BUHFOSPRSA-N

Formula

C34H22

SMILES

C(=Cc1cccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc12)c1ccccc1

Molecular Weight¹

430.54

• 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	576.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.25	kJ/mol	Joback Calculated Property
ΔvapH°	195.10	kJ/mol	Relay (1.0) Calculated Property
IE	6.34	eV	Relay (1.0) Calculated Property
log10WS	-12.96		Relay (1.0) Calculated Property
logPoct/wat	9.623		Crippen Calculated Property
McVol	340.800	ml/mol	McGowan Calculated Property
Pc	1459.02	kPa	Joback Calculated Property
Inp	[4180.00; 4180.00]
Inp	4180.00		NIST
Inp	4180.00		NIST
Inp	4180.00		NIST
Inp	4180.00		NIST
Tboil	964.31	K	Relay (1.0) Calculated Property
Tc	1346.88	K	Relay (1.0) Calculated Property
Tfus	611.99	K	Relay (1.0) Calculated Property
Vc	1.257	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	[406.00; 1036.67]	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			-1.95730e+02
Coefficient B			2.78000e+00
Coefficient C			-2.32040e-03
Coefficient D			7.72800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	406.00	J/mol×K	273.00	Calculated Property
Cp,gas	531.57	J/mol×K	353.78	Calculated Property
Cp,gas	637.57	J/mol×K	434.56	Calculated Property
Cp,gas	726.43	J/mol×K	515.33	Calculated Property
Cp,gas	800.61	J/mol×K	596.11	Calculated Property
Cp,gas	862.54	J/mol×K	676.89	Calculated Property
Cp,gas	914.66	J/mol×K	757.67	Calculated Property
Cp,gas	959.43	J/mol×K	838.44	Calculated Property
Cp,gas	999.29	J/mol×K	919.22	Calculated Property
Cp,gas	1036.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018508; 0.0009878]	Pa×s	[746.80; 1007.79]	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			-8.71694e+00
Coefficient B			1.81086e+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.			746.80
Temperature range, max.			1007.79
η	0.0018508	Pa×s	746.80	Calculated Property
η	0.0016905	Pa×s	775.80	Calculated Property
η	0.0015541	Pa×s	804.80	Calculated Property
η	0.0014371	Pa×s	833.80	Calculated Property
η	0.0013360	Pa×s	862.79	Calculated Property
η	0.0012478	Pa×s	891.79	Calculated Property
η	0.0011705	Pa×s	920.79	Calculated Property
η	0.0011023	Pa×s	949.79	Calculated Property
η	0.0010418	Pa×s	978.79	Calculated Property
η	0.0009878	Pa×s	1007.79	Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenyl-2-(2-hexahelicenyl)ethylene, trans.

Sources

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

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