Chemical Properties of Pentalene, octahydro-1-methyl- (CAS 32273-77-1)

InChI

InChI=1S/C9H16/c1-7-5-6-8-3-2-4-9(7)8/h7-9H,2-6H2,1H3

InChI Key

XWDLMQDCTIPQFS-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1CCC2CCCC12

Molecular Weight¹

124.22

CAS

32273-77-1

Other Names

• 2-methylbicyclo[3.3.0]octane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.46; 343.18]	J/mol×K	[422.87; 630.18]
Cp,gas	241.46	J/mol×K	422.87	Joback Calculated Property
Cp,gas	261.07	J/mol×K	457.42	Joback Calculated Property
Cp,gas	279.55	J/mol×K	491.97	Joback Calculated Property
Cp,gas	296.96	J/mol×K	526.52	Joback Calculated Property
Cp,gas	313.32	J/mol×K	561.07	Joback Calculated Property
Cp,gas	328.71	J/mol×K	595.62	Joback Calculated Property
Cp,gas	343.18	J/mol×K	630.18	Joback Calculated Property
η	[0.0004935; 0.0009865]	Pa×s	[215.79; 422.87]
η	0.0009865	Pa×s	215.79	Joback Calculated Property
η	0.0008117	Pa×s	250.30	Joback Calculated Property
η	0.0007002	Pa×s	284.82	Joback Calculated Property
η	0.0006236	Pa×s	319.33	Joback Calculated Property
η	0.0005681	Pa×s	353.84	Joback Calculated Property
η	0.0005262	Pa×s	388.36	Joback Calculated Property
η	0.0004935	Pa×s	422.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentalene, octahydro-1-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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