Chemical Properties of 1,3,6-Triphenylcycloheptatriene (CAS 17760-68-8)

InChI

InChI=1S/C25H20/c1-4-10-20(11-5-1)23-16-17-24(21-12-6-2-7-13-21)19-25(18-23)22-14-8-3-9-15-22/h1-18H,19H2

InChI Key

GYYCHVGZUPXXKV-UHFFFAOYSA-N

Formula

C25H20

SMILES

C1=C(c2ccccc2)C=C(c2ccccc2)CC(c2ccccc2)=C1

Molecular Weight¹

320.43

CAS

17760-68-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.01; 830.70]	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			-1.31980e+02
Coefficient B			1.93460e+00
Coefficient C			-1.28052e-03
Coefficient D			3.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.01	J/mol×K	273.00	Calculated Property
Cp,gas	405.83	J/mol×K	353.78	Calculated Property
Cp,gas	492.22	J/mol×K	434.56	Calculated Property
Cp,gas	567.15	J/mol×K	515.33	Calculated Property
Cp,gas	631.60	J/mol×K	596.11	Calculated Property
Cp,gas	686.53	J/mol×K	676.89	Calculated Property
Cp,gas	732.93	J/mol×K	757.67	Calculated Property
Cp,gas	771.78	J/mol×K	838.44	Calculated Property
Cp,gas	804.04	J/mol×K	919.22	Calculated Property
Cp,gas	830.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005202; 0.0000524]	Pa×s	[498.71; 822.48]	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			-1.33943e+01
Coefficient B			2.90897e+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.			498.71
Temperature range, max.			822.48
η	0.0005202	Pa×s	498.71	Calculated Property
η	0.0003513	Pa×s	534.68	Calculated Property
η	0.0002493	Pa×s	570.66	Calculated Property
η	0.0001843	Pa×s	606.63	Calculated Property
η	0.0001409	Pa×s	642.61	Calculated Property
η	0.0001108	Pa×s	678.58	Calculated Property
η	0.0000893	Pa×s	714.56	Calculated Property
η	0.0000735	Pa×s	750.53	Calculated Property
η	0.0000615	Pa×s	786.50	Calculated Property
η	0.0000524	Pa×s	822.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6-Triphenylcycloheptatriene.

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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