Chemical Properties of 5-Phenylbicyclo(2.2.1)2-heptene

InChI

InChI=1S/C13H14/c1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h1-7,10,12-13H,8-9H2

InChI Key

PGNNHYNYFLXKDZ-UHFFFAOYSA-N

Formula

C13H14

SMILES

C1=CC2CC1CC2c1ccccc1

Molecular Weight¹

170.26

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[168.02; 508.10]	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			-1.34720e+02
Coefficient B			1.36960e+00
Coefficient C			-1.04048e-03
Coefficient D			3.13700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.02	J/mol×K	273.00	Calculated Property
Cp,gas	233.48	J/mol×K	353.78	Calculated Property
Cp,gas	289.71	J/mol×K	434.56	Calculated Property
Cp,gas	337.69	J/mol×K	515.33	Calculated Property
Cp,gas	378.43	J/mol×K	596.11	Calculated Property
Cp,gas	412.91	J/mol×K	676.89	Calculated Property
Cp,gas	442.13	J/mol×K	757.67	Calculated Property
Cp,gas	467.07	J/mol×K	838.44	Calculated Property
Cp,gas	488.73	J/mol×K	919.22	Calculated Property
Cp,gas	508.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014787; 0.0007761]	Pa×s	[291.57; 542.67]	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			-7.90970e+00
Coefficient B			4.06180e+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.			291.57
Temperature range, max.			542.67
η	0.0014787	Pa×s	291.57	Calculated Property
η	0.0013093	Pa×s	319.47	Calculated Property
η	0.0011822	Pa×s	347.37	Calculated Property
η	0.0010837	Pa×s	375.27	Calculated Property
η	0.0010055	Pa×s	403.17	Calculated Property
η	0.0009421	Pa×s	431.07	Calculated Property
η	0.0008896	Pa×s	458.97	Calculated Property
η	0.0008456	Pa×s	486.87	Calculated Property
η	0.0008082	Pa×s	514.77	Calculated Property
η	0.0007761	Pa×s	542.67	Calculated Property

Similar Compounds

Find more compounds similar to 5-Phenylbicyclo(2.2.1)2-heptene.

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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