Chemical Properties of 1,2,3,4-Tetramethyl-cyclopentane (CAS 79042-54-9)

InChI

InChI=1S/C9H18/c1-6-5-7(2)9(4)8(6)3/h6-9H,5H2,1-4H3

InChI Key

INYXDKODFMWKER-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC1CC(C)C(C)C1C

Molecular Weight¹

126.24

CAS

79042-54-9

• 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).
• 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).
• 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, Enthalpy of formation 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	[169.97; 486.92]	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			-4.79600e+01
Coefficient B			9.11080e-01
Coefficient C			-4.27000e-04
Coefficient D			5.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.97	J/mol×K	273.00	Calculated Property
Cp,gas	223.17	J/mol×K	353.78	Calculated Property
Cp,gas	271.49	J/mol×K	434.56	Calculated Property
Cp,gas	315.10	J/mol×K	515.33	Calculated Property
Cp,gas	354.17	J/mol×K	596.11	Calculated Property
Cp,gas	388.85	J/mol×K	676.89	Calculated Property
Cp,gas	419.31	J/mol×K	757.67	Calculated Property
Cp,gas	445.70	J/mol×K	838.44	Calculated Property
Cp,gas	468.18	J/mol×K	919.22	Calculated Property
Cp,gas	486.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006663; 0.0002603]	Pa×s	[189.37; 417.59]	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			-9.03379e+00
Coefficient B			3.25710e+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.			189.37
Temperature range, max.			417.59
η	0.0006663	Pa×s	189.37	Calculated Property
η	0.0005438	Pa×s	214.73	Calculated Property
η	0.0004633	Pa×s	240.09	Calculated Property
η	0.0004070	Pa×s	265.44	Calculated Property
η	0.0003657	Pa×s	290.80	Calculated Property
η	0.0003343	Pa×s	316.16	Calculated Property
η	0.0003096	Pa×s	341.52	Calculated Property
η	0.0002899	Pa×s	366.87	Calculated Property
η	0.0002737	Pa×s	392.23	Calculated Property
η	0.0002603	Pa×s	417.59	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4-Tetramethyl-cyclopentane.

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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