Chemical Properties of Cyclohexene, 4-(1,1-dimethylethyl)-

InChI

InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3

InChI Key

PJTMQLHFQYFBBB-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC(C)(C)C1CC=CCC1

Molecular Weight¹

138.25

Other Names

• Cyclohexene, 4-tert-butyl-
• 4-tert-Butyl-1-cyclohexene
• 4-tert-Butylcyclohexene
• 4-tertiary-Butylcyclohexene

• 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	[171.57; 490.48]	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			-8.85000e+01
Coefficient B			1.14576e+00
Coefficient C			-7.60280e-04
Coefficient D			1.93500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.57	J/mol×K	273.00	Calculated Property
Cp,gas	230.26	J/mol×K	353.78	Calculated Property
Cp,gas	281.70	J/mol×K	434.56	Calculated Property
Cp,gas	326.52	J/mol×K	515.33	Calculated Property
Cp,gas	365.32	J/mol×K	596.11	Calculated Property
Cp,gas	398.72	J/mol×K	676.89	Calculated Property
Cp,gas	427.32	J/mol×K	757.67	Calculated Property
Cp,gas	451.74	J/mol×K	838.44	Calculated Property
Cp,gas	472.59	J/mol×K	919.22	Calculated Property
Cp,gas	490.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107881; 0.0002342]	Pa×s	[213.02; 459.46]	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			-1.16699e+01
Coefficient B			1.52109e+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.			213.02
Temperature range, max.			459.46
η	0.0107881	Pa×s	213.02	Calculated Property
η	0.0047832	Pa×s	240.40	Calculated Property
η	0.0025045	Pa×s	267.79	Calculated Property
η	0.0014787	Pa×s	295.17	Calculated Property
η	0.0009547	Pa×s	322.55	Calculated Property
η	0.0006601	Pa×s	349.93	Calculated Property
η	0.0004815	Pa×s	377.32	Calculated Property
η	0.0003666	Pa×s	404.70	Calculated Property
η	0.0002889	Pa×s	432.08	Calculated Property
η	0.0002342	Pa×s	459.46	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 4-(1,1-dimethylethyl)-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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