Chemical Properties of Spiro[2,4]hepta-4,6-diene (CAS 765-46-8)

InChI

InChI=1S/C7H8/c1-2-4-7(3-1)5-6-7/h1-4H,5-6H2

InChI Key

KPDOKSJMJMDRQA-UHFFFAOYSA-N

Formula

C7H8

SMILES

C1=CC2(C=C1)CC2

Molecular Weight¹

92.14

CAS

765-46-8

Other Names

• Spiro[2.4]hepta-4,6-diene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[83.06; 279.79]	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			-1.49450e+02
Coefficient B			1.16740e+00
Coefficient C			-1.31356e-03
Coefficient D			5.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	83.06	J/mol×K	273.00	Calculated Property
Cp,gas	124.62	J/mol×K	353.78	Calculated Property
Cp,gas	157.02	J/mol×K	434.56	Calculated Property
Cp,gas	182.06	J/mol×K	515.33	Calculated Property
Cp,gas	201.56	J/mol×K	596.11	Calculated Property
Cp,gas	217.36	J/mol×K	676.89	Calculated Property
Cp,gas	231.26	J/mol×K	757.67	Calculated Property
Cp,gas	245.08	J/mol×K	838.44	Calculated Property
Cp,gas	260.65	J/mol×K	919.22	Calculated Property
Cp,gas	279.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Spiro[2,4]hepta-4,6-diene.

Sources

• 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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