Chemical Properties of Pentacyclo[10.4.4.44,9.06,23.015,19]tetracosa-4,6,8,12,14,16,17,21,23-decaene

InChI

InChI=1S/C24H20/c1-2-18-6-10-24-16-20(8-12-23(24)14-18)4-3-19-7-11-21-13-17(1)5-9-22(21)15-19/h5-16H,1-4H2

InChI Key

YOFPSRWBZCXYAY-UHFFFAOYSA-N

Formula

C24H20

SMILES

c1cc2cc3ccc2cc1CCc1ccc2cc(ccc2c1)CC3

Molecular Weight¹

308.42

Other Names

• Pentacyclo[10.4.4.4^4,9.0^6,22.0^15,19]tetracosa-4,6,8,12,14,16,17,19,21,23-decaene
• Pentacyclo[10.4.4.4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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

Property	Value	Unit	Source
ΔfH°gas	342.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.44	kJ/mol	Joback Calculated Property
IE	[7.30; 7.52]	eV
IE	7.30	eV	NIST
IE	7.52	eV	NIST
logPoct/wat	5.877		Crippen Calculated Property
McVol	251.720	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.71; 801.59]	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			-1.53730e+02
Coefficient B			2.04840e+00
Coefficient C			-1.57868e-03
Coefficient D			4.85600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.71	J/mol×K	273.00	Calculated Property
Cp,gas	394.86	J/mol×K	353.78	Calculated Property
Cp,gas	478.15	J/mol×K	434.56	Calculated Property
Cp,gas	549.09	J/mol×K	515.33	Calculated Property
Cp,gas	609.23	J/mol×K	596.11	Calculated Property
Cp,gas	660.09	J/mol×K	676.89	Calculated Property
Cp,gas	703.23	J/mol×K	757.67	Calculated Property
Cp,gas	740.17	J/mol×K	838.44	Calculated Property
Cp,gas	772.44	J/mol×K	919.22	Calculated Property
Cp,gas	801.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014536; 0.0005162]	Pa×s	[547.22; 802.24]	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			-9.79052e+00
Coefficient B			1.78218e+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.			547.22
Temperature range, max.			802.24
η	0.0014536	Pa×s	547.22	Calculated Property
η	0.0012382	Pa×s	575.56	Calculated Property
η	0.0010708	Pa×s	603.89	Calculated Property
η	0.0009381	Pa×s	632.23	Calculated Property
η	0.0008313	Pa×s	660.56	Calculated Property
η	0.0007440	Pa×s	688.90	Calculated Property
η	0.0006717	Pa×s	717.23	Calculated Property
η	0.0006112	Pa×s	745.57	Calculated Property
η	0.0005599	Pa×s	773.91	Calculated Property
η	0.0005162	Pa×s	802.24	Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[10.4.4.44,9.06,23.015,19]tetracosa-4,6,8,12,14,16,17,21,23-decaene.

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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