Chemical Properties of Hexaphenylethane (CAS 18909-18-7)

InChI

InChI=1S/C38H30/c1-6-16-30(17-7-1)37(31-18-8-2-9-19-31)32-26-28-36(29-27-32)38(33-20-10-3-11-21-33,34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-29,36H

InChI Key

FWSYACUVHKGULL-UHFFFAOYSA-N

Formula

C38H30

SMILES

C1=CC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C=CC1=C(c1ccccc1)c1ccccc1

Molecular Weight¹

486.64

CAS

18909-18-7

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1367.68; 1505.09]	J/mol×K	[1223.60; 1528.84]
Cp,gas	1367.68	J/mol×K	1223.60	Joback Calculated Property
Cp,gas	1387.16	J/mol×K	1274.47	Joback Calculated Property
Cp,gas	1407.31	J/mol×K	1325.35	Joback Calculated Property
Cp,gas	1428.65	J/mol×K	1376.22	Joback Calculated Property
Cp,gas	1451.72	J/mol×K	1427.09	Joback Calculated Property
Cp,gas	1477.03	J/mol×K	1477.97	Joback Calculated Property
Cp,gas	1505.09	J/mol×K	1528.84	Joback Calculated Property
ΔsubH	114.60	kJ/mol	371.00	NIST

Similar Compounds

Find more compounds similar to Hexaphenylethane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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