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

InChI

InChI=1S/C12H18/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h1,3,5,9,11-12H,2,4,6-8,10H2

InChI Key

IJAIWASFLXRSJY-UHFFFAOYSA-N

Formula

C12H18

SMILES

C1=CCC(C2C=CCC2)CCC1

Molecular Weight¹

162.27

• 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).
• Δ_vapH° : Enthalpy of vaporization 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	7.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	61.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	149.620	ml/mol	McGowan Calculated Property
Inp	[1275.00; 1315.00]
Inp	1275.00		NIST
Inp	1315.00		NIST
Inp	1275.00		NIST
Tboil	504.23	K	Relay (1.0) Calculated Property
Tfus	239.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[170.86; 545.97]	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			-1.23670e+02
Coefficient B			1.27600e+00
Coefficient C			-7.65560e-04
Coefficient D			1.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.86	J/mol×K	273.00	Calculated Property
Cp,gas	238.98	J/mol×K	353.78	Calculated Property
Cp,gas	299.32	J/mol×K	434.56	Calculated Property
Cp,gas	352.37	J/mol×K	515.33	Calculated Property
Cp,gas	398.65	J/mol×K	596.11	Calculated Property
Cp,gas	438.65	J/mol×K	676.89	Calculated Property
Cp,gas	472.88	J/mol×K	757.67	Calculated Property
Cp,gas	501.84	J/mol×K	838.44	Calculated Property
Cp,gas	526.04	J/mol×K	919.22	Calculated Property
Cp,gas	545.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0067331; 0.0002366]	Pa×s	[241.28; 524.04]	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			-1.12067e+01
Coefficient B			1.49738e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.28
Temperature range, max.			524.04
η	0.0067331	Pa×s	241.28	Calculated Property
η	0.0032938	Pa×s	272.70	Calculated Property
η	0.0018679	Pa×s	304.11	Calculated Property
η	0.0011779	Pa×s	335.53	Calculated Property
η	0.0008039	Pa×s	366.95	Calculated Property
η	0.0005827	Pa×s	398.37	Calculated Property
η	0.0004427	Pa×s	429.78	Calculated Property
η	0.0003492	Pa×s	461.20	Calculated Property
η	0.0002838	Pa×s	492.62	Calculated Property
η	0.0002366	Pa×s	524.04	Calculated Property

Similar Compounds

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

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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