Chemical Properties of Hexakis[(4-pentylphenyl)ethynyl]benzene (CAS 125594-05-0)

InChI

InChI=1S/C84H90/c1-7-13-19-25-67-31-43-73(44-32-67)55-61-79-80(62-56-74-45-33-68(34-46-74)26-20-14-8-2)82(64-58-76-49-37-70(38-50-76)28-22-16-10-4)84(66-60-78-53-41-72(42-54-78)30-24-18-12-6)83(65-59-77-51-39-71(40-52-77)29-23-17-11-5)81(79)63-57-75-47-35-69(36-48-75)27-21-15-9-3/h31-54H,7-30H2,1-6H3

InChI Key

LTZVHPBZYRJACU-UHFFFAOYSA-N

Formula

C84H90

SMILES

CCCCCc1ccc(C#Cc2c(C#Cc3ccc(CCCCC)cc3)c(C#Cc3ccc(CCCCC)cc3)c(C#Cc3ccc(CCCCC)cc3)c(C#Cc3ccc(CCCCC)cc3)c2C#Cc2ccc(CCCCC)cc2)cc1

Molecular Weight¹

1099.61

CAS

125594-05-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[4693.35; 26908.37]	J/mol×K	[2416.86; 4545.05]
Cp,gas	4693.35	J/mol×K	2416.86	Joback Calculated Property
Cp,gas	5885.64	J/mol×K	2771.56	Joback Calculated Property
Cp,gas	7808.24	J/mol×K	3126.26	Joback Calculated Property
Cp,gas	10666.48	J/mol×K	3480.95	Joback Calculated Property
Cp,gas	14665.70	J/mol×K	3835.65	Joback Calculated Property
Cp,gas	20011.22	J/mol×K	4190.35	Joback Calculated Property
Cp,gas	26908.37	J/mol×K	4545.05	Joback Calculated Property
ΔfusH	44.10	kJ/mol	443.55	NIST

Similar Compounds

Find more compounds similar to Hexakis[(4-pentylphenyl)ethynyl]benzene.

Sources

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

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