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

InChI

InChI=1S/C12H20/c1-2-3-4-5-6-9-12-10-7-8-11-12/h7-8,10H,2-6,9,11H2,1H3

InChI Key

HYWIHNGPLDEBNO-UHFFFAOYSA-N

Formula

C12H20

SMILES

CCCCCCCC1=CC=CC1

Molecular Weight¹

164.29

• 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	[214.16; 549.42]	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			-4.45840e+01
Coefficient B			1.13052e+00
Coefficient C			-7.19320e-04
Coefficient D			1.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.16	J/mol×K	273.00	Calculated Property
Cp,gas	273.43	J/mol×K	353.78	Calculated Property
Cp,gas	325.86	J/mol×K	434.56	Calculated Property
Cp,gas	372.00	J/mol×K	515.33	Calculated Property
Cp,gas	412.44	J/mol×K	596.11	Calculated Property
Cp,gas	447.77	J/mol×K	676.89	Calculated Property
Cp,gas	478.55	J/mol×K	757.67	Calculated Property
Cp,gas	505.37	J/mol×K	838.44	Calculated Property
Cp,gas	528.80	J/mol×K	919.22	Calculated Property
Cp,gas	549.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034483; 0.0002777]	Pa×s	[254.18; 481.51]	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			-1.10054e+01
Coefficient B			1.35617e+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.			254.18
Temperature range, max.			481.51
η	0.0034483	Pa×s	254.18	Calculated Property
η	0.0021289	Pa×s	279.44	Calculated Property
η	0.0014237	Pa×s	304.70	Calculated Property
η	0.0010126	Pa×s	329.96	Calculated Property
η	0.0007560	Pa×s	355.22	Calculated Property
η	0.0005867	Pa×s	380.48	Calculated Property
η	0.0004700	Pa×s	405.74	Calculated Property
η	0.0003864	Pa×s	431.00	Calculated Property
η	0.0003246	Pa×s	456.25	Calculated Property
η	0.0002777	Pa×s	481.51	Calculated Property

Similar Compounds

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

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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