Chemical Properties of Pentalene, 1,2,3,3a,4,6a-hexahydro-

InChI

InChI=1S/C8H12/c1-3-7-5-2-6-8(7)4-1/h1,3,7-8H,2,4-6H2

InChI Key

KEHFJHPSOFFXBO-UHFFFAOYSA-N

Formula

C8H12

SMILES

C1=CC2CCCC2C1

Molecular Weight¹

108.18

Other Names

• 1,2,3,3a,4,6a-hexahydropentalene
• Bicyclo[3.3.0]oct-2-ene

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[185.77; 272.57]	J/mol×K	[403.62; 615.80]
Cp,gas	185.77	J/mol×K	403.62	Joback Calculated Property
Cp,gas	202.83	J/mol×K	438.98	Joback Calculated Property
Cp,gas	218.77	J/mol×K	474.35	Joback Calculated Property
Cp,gas	233.66	J/mol×K	509.71	Joback Calculated Property
Cp,gas	247.55	J/mol×K	545.07	Joback Calculated Property
Cp,gas	260.50	J/mol×K	580.43	Joback Calculated Property
Cp,gas	272.57	J/mol×K	615.80	Joback Calculated Property
η	[0.0004471; 0.0010286]	Pa×s	[209.52; 403.62]
η	0.0010286	Pa×s	209.52	Joback Calculated Property
η	0.0008159	Pa×s	241.87	Joback Calculated Property
η	0.0006835	Pa×s	274.22	Joback Calculated Property
η	0.0005944	Pa×s	306.57	Joback Calculated Property
η	0.0005308	Pa×s	338.92	Joback Calculated Property
η	0.0004835	Pa×s	371.27	Joback Calculated Property
η	0.0004471	Pa×s	403.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentalene, 1,2,3,3a,4,6a-hexahydro-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.