Chemical Properties of Hexakis[(4-hexylphenyl)ethynyl]benzene (CAS 125594-06-1)

InChI

InChI=1S/C90H102/c1-7-13-19-25-31-73-37-49-79(50-38-73)61-67-85-86(68-62-80-51-39-74(40-52-80)32-26-20-14-8-2)88(70-64-82-55-43-76(44-56-82)34-28-22-16-10-4)90(72-66-84-59-47-78(48-60-84)36-30-24-18-12-6)89(71-65-83-57-45-77(46-58-83)35-29-23-17-11-5)87(85)69-63-81-53-41-75(42-54-81)33-27-21-15-9-3/h37-60H,7-36H2,1-6H3

InChI Key

RUDSASZJJSRJTL-UHFFFAOYSA-N

Formula

C90H102

SMILES

CCCCCCc1ccc(C#Cc2c(C#Cc3ccc(CCCCCC)cc3)c(C#Cc3ccc(CCCCCC)cc3)c(C#Cc3ccc(CCCCCC)cc3)c(C#Cc3ccc(CCCCCC)cc3)c2C#Cc2ccc(CCCCCC)cc2)cc1

Molecular Weight¹

1183.77

CAS

125594-06-1

• 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	[5592.05; 106557.58]	J/mol×K	[2554.14; 6420.52]
Cp,gas	5592.05	J/mol×K	2554.14	Joback Calculated Property
Cp,gas	9122.97	J/mol×K	3198.54	Joback Calculated Property
Cp,gas	16178.07	J/mol×K	3842.93	Joback Calculated Property
Cp,gas	28103.22	J/mol×K	4487.33	Joback Calculated Property
Cp,gas	46244.29	J/mol×K	5131.73	Joback Calculated Property
Cp,gas	71947.12	J/mol×K	5776.12	Joback Calculated Property
Cp,gas	106557.58	J/mol×K	6420.52	Joback Calculated Property
ΔfusH	38.90	kJ/mol	397.55	NIST

Similar Compounds

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

Sources

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

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