Chemical Properties of Pentalene

InChI

InChI=1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H

InChI Key

GUVXZFRDPCKWEM-UHFFFAOYSA-N

Formula

C8H6

SMILES

C1=CC2=CC=CC2=C1

Molecular Weight¹

102.14

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[93.20; 250.49]	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			-6.72700e+01
Coefficient B			7.56400e-01
Coefficient C			-6.84840e-04
Coefficient D			2.46200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	93.20	J/mol×K	273.00	Calculated Property
Cp,gas	125.52	J/mol×K	353.78	Calculated Property
Cp,gas	152.31	J/mol×K	434.56	Calculated Property
Cp,gas	174.35	J/mol×K	515.33	Calculated Property
Cp,gas	192.42	J/mol×K	596.11	Calculated Property
Cp,gas	207.31	J/mol×K	676.89	Calculated Property
Cp,gas	219.77	J/mol×K	757.67	Calculated Property
Cp,gas	230.61	J/mol×K	838.44	Calculated Property
Cp,gas	240.59	J/mol×K	919.22	Calculated Property
Cp,gas	250.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008643; 0.0003618]	Pa×s	[245.32; 450.86]	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			-8.96369e+00
Coefficient B			4.68600e+02
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.			245.32
Temperature range, max.			450.86
η	0.0008643	Pa×s	245.32	Calculated Property
η	0.0007346	Pa×s	268.16	Calculated Property
η	0.0006404	Pa×s	290.99	Calculated Property
η	0.0005696	Pa×s	313.83	Calculated Property
η	0.0005148	Pa×s	336.67	Calculated Property
η	0.0004712	Pa×s	359.51	Calculated Property
η	0.0004359	Pa×s	382.34	Calculated Property
η	0.0004068	Pa×s	405.18	Calculated Property
η	0.0003825	Pa×s	428.02	Calculated Property
η	0.0003618	Pa×s	450.86	Calculated Property

Similar Compounds

Find more compounds similar to Pentalene.

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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