Chemical Properties of 1,3-Cyclopentadiene, 1-(1-methylethyl)

InChI

InChI=1S/C8H12/c1-7(2)8-5-3-4-6-8/h3-5,7H,6H2,1-2H3

InChI Key

MWQKURVBJZAOSC-UHFFFAOYSA-N

Formula

C8H12

SMILES

CC(C)C1=CC=CC1

Molecular Weight¹

108.18

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[128.99; 343.59]	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			-4.26300e+01
Coefficient B			7.56440e-01
Coefficient C			-5.04920e-04
Coefficient D			1.34700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.99	J/mol×K	273.00	Calculated Property
Cp,gas	167.75	J/mol×K	353.78	Calculated Property
Cp,gas	201.79	J/mol×K	434.56	Calculated Property
Cp,gas	231.53	J/mol×K	515.33	Calculated Property
Cp,gas	257.40	J/mol×K	596.11	Calculated Property
Cp,gas	279.83	J/mol×K	676.89	Calculated Property
Cp,gas	299.23	J/mol×K	757.67	Calculated Property
Cp,gas	316.04	J/mol×K	838.44	Calculated Property
Cp,gas	330.69	J/mol×K	919.22	Calculated Property
Cp,gas	343.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040067; 0.0002304]	Pa×s	[194.10; 426.48]	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			-1.07612e+01
Coefficient B			1.01735e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			194.10
Temperature range, max.			426.48
η	0.0040067	Pa×s	194.10	Calculated Property
η	0.0021654	Pa×s	219.92	Calculated Property
η	0.0013318	Pa×s	245.74	Calculated Property
η	0.0008984	Pa×s	271.56	Calculated Property
η	0.0006490	Pa×s	297.38	Calculated Property
η	0.0004938	Pa×s	323.20	Calculated Property
η	0.0003912	Pa×s	349.02	Calculated Property
η	0.0003200	Pa×s	374.84	Calculated Property
η	0.0002687	Pa×s	400.66	Calculated Property
η	0.0002304	Pa×s	426.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 1-(1-methylethyl).

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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