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_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).
• 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
ΔfG°	1025.54	kJ/mol	Joback Calculated Property
ΔfH°gas	743.19	kJ/mol	Joback Calculated Property
ΔfusH°	55.25	kJ/mol	Joback Calculated Property
ΔvapH°	107.30	kJ/mol	Joback Calculated Property
log10WS	-13.10		Crippen 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	1154.64	K	Joback Calculated Property
Tc	1439.45	K	Joback Calculated Property
Tfus	746.80	K	Joback Calculated Property
Vc	1.313	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1110.24; 1302.96]	J/mol×K	[1154.64; 1439.45]
Cp,gas	1110.24	J/mol×K	1154.64	Joback Calculated Property
Cp,gas	1135.45	J/mol×K	1202.11	Joback Calculated Property
Cp,gas	1162.76	J/mol×K	1249.58	Joback Calculated Property
Cp,gas	1192.68	J/mol×K	1297.04	Joback Calculated Property
Cp,gas	1225.68	J/mol×K	1344.51	Joback Calculated Property
Cp,gas	1262.28	J/mol×K	1391.98	Joback Calculated Property
Cp,gas	1302.96	J/mol×K	1439.45	Joback Calculated Property
η	[0.0007860; 0.0018508]	Pa×s	[746.80; 1154.64]
η	0.0018508	Pa×s	746.80	Joback Calculated Property
η	0.0015119	Pa×s	814.77	Joback Calculated Property
η	0.0012741	Pa×s	882.75	Joback Calculated Property
η	0.0011003	Pa×s	950.72	Joback Calculated Property
η	0.0009689	Pa×s	1018.69	Joback Calculated Property
η	0.0008670	Pa×s	1086.67	Joback Calculated Property
η	0.0007860	Pa×s	1154.64	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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