Chemical Properties of Neopentylidenecyclohexane (CAS 39546-80-0)

InChI

InChI=1S/C11H20/c1-11(2,3)9-10-7-5-4-6-8-10/h9H,4-8H2,1-3H3

InChI Key

MHNGPSUOLFWERG-UHFFFAOYSA-N

Formula

C11H20

SMILES

CC(C)(C)C=C1CCCCC1

Molecular Weight¹

152.28

CAS

39546-80-0

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.30; 532.73]	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			-9.20300e+01
Coefficient B			1.24576e+00
Coefficient C			-8.51300e-04
Coefficient D			2.30300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.30	J/mol×K	273.00	Calculated Property
Cp,gas	252.34	J/mol×K	353.78	Calculated Property
Cp,gas	307.46	J/mol×K	434.56	Calculated Property
Cp,gas	355.39	J/mol×K	515.33	Calculated Property
Cp,gas	396.86	J/mol×K	596.11	Calculated Property
Cp,gas	432.59	J/mol×K	676.89	Calculated Property
Cp,gas	463.31	J/mol×K	757.67	Calculated Property
Cp,gas	489.76	J/mol×K	838.44	Calculated Property
Cp,gas	512.66	J/mol×K	919.22	Calculated Property
Cp,gas	532.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0101818; 0.0001947]	Pa×s	[238.13; 485.95]	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			-1.23463e+01
Coefficient B			1.84768e+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.			238.13
Temperature range, max.			485.95
η	0.0101818	Pa×s	238.13	Calculated Property
η	0.0045557	Pa×s	265.67	Calculated Property
η	0.0023708	Pa×s	293.20	Calculated Property
η	0.0013802	Pa×s	320.74	Calculated Property
η	0.0008752	Pa×s	348.27	Calculated Property
η	0.0005933	Pa×s	375.81	Calculated Property
η	0.0004242	Pa×s	403.34	Calculated Property
η	0.0003165	Pa×s	430.88	Calculated Property
η	0.0002446	Pa×s	458.42	Calculated Property
η	0.0001947	Pa×s	485.95	Calculated Property

Similar Compounds

Find more compounds similar to Neopentylidenecyclohexane.

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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