Chemical Properties of as-Indacene, dodecahydro-4-(1-octylnonyl)-

InChI

InChI=1S/C29H54/c1-3-5-7-9-11-13-17-24(18-14-12-10-8-6-4-2)29-23-25-19-15-20-26(25)27-21-16-22-28(27)29/h24-29H,3-23H2,1-2H3

InChI Key

JSKCOAYGYKRYTA-UHFFFAOYSA-N

Formula

C29H54

SMILES

CCCCCCCCC(CCCCCCCC)C1CC2CCCC2C2CCCC12

Molecular Weight¹

402.75

Other Names

• 5-(1'-n-Octylnonyl)-(dodecahydro(as)indacene)
• 9-(4-as-Perhydroindacenyl)heptadecane
• 9-(4'-as-Decahydroindacenyl)heptadecane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[539.89; 1473.87]	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			-1.79366e+02
Coefficient B			3.13564e+00
Coefficient C			-1.96760e-03
Coefficient D			4.85200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.89	J/mol×K	273.00	Calculated Property
Cp,gas	705.18	J/mol×K	353.78	Calculated Property
Cp,gas	851.50	J/mol×K	434.56	Calculated Property
Cp,gas	980.40	J/mol×K	515.33	Calculated Property
Cp,gas	1093.42	J/mol×K	596.11	Calculated Property
Cp,gas	1192.08	J/mol×K	676.89	Calculated Property
Cp,gas	1277.92	J/mol×K	757.67	Calculated Property
Cp,gas	1352.48	J/mol×K	838.44	Calculated Property
Cp,gas	1417.28	J/mol×K	919.22	Calculated Property
Cp,gas	1473.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032450; 0.0006299]	Pa×s	[436.37; 761.28]	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			-9.57168e+00
Coefficient B			1.67611e+03
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.			436.37
Temperature range, max.			761.28
η	0.0032450	Pa×s	436.37	Calculated Property
η	0.0024196	Pa×s	472.47	Calculated Property
η	0.0018810	Pa×s	508.57	Calculated Property
η	0.0015119	Pa×s	544.67	Calculated Property
η	0.0012486	Pa×s	580.78	Calculated Property
η	0.0010546	Pa×s	616.88	Calculated Property
η	0.0009075	Pa×s	652.98	Calculated Property
η	0.0007933	Pa×s	689.08	Calculated Property
η	0.0007028	Pa×s	725.18	Calculated Property
η	0.0006299	Pa×s	761.28	Calculated Property

Similar Compounds

Find more compounds similar to as-Indacene, dodecahydro-4-(1-octylnonyl)-.

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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