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_p : 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.00; 453.34]	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			-1.10080e+02
Coefficient B			1.11492e+00
Coefficient C			-7.58000e-04
Coefficient D			2.06500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.00	J/mol×K	273.00	Calculated Property
Cp,gas	198.63	J/mol×K	353.78	Calculated Property
Cp,gas	248.22	J/mol×K	434.56	Calculated Property
Cp,gas	291.44	J/mol×K	515.33	Calculated Property
Cp,gas	328.92	J/mol×K	596.11	Calculated Property
Cp,gas	361.34	J/mol×K	676.89	Calculated Property
Cp,gas	389.34	J/mol×K	757.67	Calculated Property
Cp,gas	413.57	J/mol×K	838.44	Calculated Property
Cp,gas	434.68	J/mol×K	919.22	Calculated Property
Cp,gas	453.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009865; 0.0004790]	Pa×s	[215.79; 441.12]	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			-8.33589e+00
Coefficient B			3.05250e+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.			215.79
Temperature range, max.			441.12
η	0.0009865	Pa×s	215.79	Calculated Property
η	0.0008516	Pa×s	240.83	Calculated Property
η	0.0007558	Pa×s	265.86	Calculated Property
η	0.0006847	Pa×s	290.90	Calculated Property
η	0.0006300	Pa×s	315.94	Calculated Property
η	0.0005869	Pa×s	340.98	Calculated Property
η	0.0005520	Pa×s	366.01	Calculated Property
η	0.0005233	Pa×s	391.05	Calculated Property
η	0.0004993	Pa×s	416.09	Calculated Property
η	0.0004790	Pa×s	441.12	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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