Chemical Properties of 1,3-Cyclopentadiene, 1-octyl

InChI

InChI=1S/C13H22/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h8-9,11H,2-7,10,12H2,1H3

InChI Key

JGLVQJXCFCINBL-UHFFFAOYSA-N

Formula

C13H22

SMILES

CCCCCCCCC1=CC=CC1

Molecular Weight¹

178.31

• 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.
• I_p : Polar retention indices.
• 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, 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	[235.37; 601.01]	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			-4.54930e+01
Coefficient B			1.22552e+00
Coefficient C			-7.73720e-04
Coefficient D			1.94700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.37	J/mol×K	273.00	Calculated Property
Cp,gas	299.85	J/mol×K	353.78	Calculated Property
Cp,gas	356.93	J/mol×K	434.56	Calculated Property
Cp,gas	407.23	J/mol×K	515.33	Calculated Property
Cp,gas	451.36	J/mol×K	596.11	Calculated Property
Cp,gas	489.93	J/mol×K	676.89	Calculated Property
Cp,gas	523.57	J/mol×K	757.67	Calculated Property
Cp,gas	552.88	J/mol×K	838.44	Calculated Property
Cp,gas	578.49	J/mol×K	919.22	Calculated Property
Cp,gas	601.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034868; 0.0002751]	Pa×s	[265.45; 495.97]	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			-1.11224e+01
Coefficient B			1.45033e+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.			265.45
Temperature range, max.			495.97
η	0.0034868	Pa×s	265.45	Calculated Property
η	0.0021559	Pa×s	291.06	Calculated Property
η	0.0014408	Pa×s	316.68	Calculated Property
η	0.0010227	Pa×s	342.29	Calculated Property
η	0.0007615	Pa×s	367.90	Calculated Property
η	0.0005891	Pa×s	393.52	Calculated Property
η	0.0004703	Pa×s	419.13	Calculated Property
η	0.0003853	Pa×s	444.74	Calculated Property
η	0.0003226	Pa×s	470.36	Calculated Property
η	0.0002751	Pa×s	495.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 1-octyl.

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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