Chemical Properties of 1,2,3-Trimethylcyclopentadiene (CAS 115864-00-1)

InChI

InChI=1S/C8H12/c1-6-4-5-7(2)8(6)3/h4H,5H2,1-3H3

InChI Key

WFZFDWAAGYEXOS-UHFFFAOYSA-N

Formula

C8H12

SMILES

CC1=CCC(C)=C1C

Molecular Weight¹

108.18

CAS

115864-00-1

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 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	[134.40; 336.97]	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			-1.23500e+01
Coefficient B			6.31560e-01
Coefficient C			-3.67640e-04
Coefficient D			8.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.40	J/mol×K	273.00	Calculated Property
Cp,gas	168.85	J/mol×K	353.78	Calculated Property
Cp,gas	199.68	J/mol×K	434.56	Calculated Property
Cp,gas	227.17	J/mol×K	515.33	Calculated Property
Cp,gas	251.58	J/mol×K	596.11	Calculated Property
Cp,gas	273.19	J/mol×K	676.89	Calculated Property
Cp,gas	292.26	J/mol×K	757.67	Calculated Property
Cp,gas	309.07	J/mol×K	838.44	Calculated Property
Cp,gas	323.88	J/mol×K	919.22	Calculated Property
Cp,gas	336.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012389; 0.0002223]	Pa×s	[234.14; 432.48]	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			-1.04392e+01
Coefficient B			8.77010e+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.			234.14
Temperature range, max.			432.48
η	0.0012389	Pa×s	234.14	Calculated Property
η	0.0008977	Pa×s	256.18	Calculated Property
η	0.0006845	Pa×s	278.21	Calculated Property
η	0.0005431	Pa×s	300.25	Calculated Property
η	0.0004448	Pa×s	322.29	Calculated Property
η	0.0003737	Pa×s	344.33	Calculated Property
η	0.0003206	Pa×s	366.36	Calculated Property
η	0.0002799	Pa×s	388.40	Calculated Property
η	0.0002479	Pa×s	410.44	Calculated Property
η	0.0002223	Pa×s	432.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-Trimethylcyclopentadiene.

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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