Chemical Properties of 4-Cyclopent-3-enyl-cyclooctene

InChI

InChI=1S/C13H20/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h2,4,6,10,12-13H,1,3,5,7-9,11H2/b4-2-

InChI Key

SRHMBOGGUJVFHW-DUXPYHPUSA-N

Formula

C13H20

SMILES

C1=CC(C2C/C=C/CCCC2)CC1

Molecular Weight¹

176.30

• 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).
• I_np : Non-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

Property	Value	Unit	Source
ΔfH°gas	32.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	163.710	ml/mol	McGowan Calculated Property
Inp	[1402.00; 1402.00]
Inp	1402.00		NIST
Inp	1402.00		NIST
Tboil	524.67	K	Relay (1.0) Calculated Property
Tfus	248.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[187.18; 599.34]	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			-1.29700e+02
Coefficient B			1.36140e+00
Coefficient C			-7.73560e-04
Coefficient D			1.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.18	J/mol×K	273.00	Calculated Property
Cp,gas	261.37	J/mol×K	353.78	Calculated Property
Cp,gas	327.41	J/mol×K	434.56	Calculated Property
Cp,gas	385.77	J/mol×K	515.33	Calculated Property
Cp,gas	436.87	J/mol×K	596.11	Calculated Property
Cp,gas	481.18	J/mol×K	676.89	Calculated Property
Cp,gas	519.13	J/mol×K	757.67	Calculated Property
Cp,gas	551.18	J/mol×K	838.44	Calculated Property
Cp,gas	577.77	J/mol×K	919.22	Calculated Property
Cp,gas	599.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093345; 0.0001811]	Pa×s	[249.03; 546.09]	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			-1.19218e+01
Coefficient B			1.80491e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			249.03
Temperature range, max.			546.09
η	0.0093345	Pa×s	249.03	Calculated Property
η	0.0039969	Pa×s	282.04	Calculated Property
η	0.0020443	Pa×s	315.04	Calculated Property
η	0.0011874	Pa×s	348.05	Calculated Property
η	0.0007577	Pa×s	381.06	Calculated Property
η	0.0005194	Pa×s	414.06	Calculated Property
η	0.0003765	Pa×s	447.07	Calculated Property
η	0.0002852	Pa×s	480.08	Calculated Property
η	0.0002240	Pa×s	513.08	Calculated Property
η	0.0001811	Pa×s	546.09	Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyclopent-3-enyl-cyclooctene.

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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