Chemical Properties of endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione (CAS 2816-25-3)

InChI

InChI=1S/C12H12O2/c13-9-5-6-10(14)12-8-2-1-7(3-4-8)11(9)12/h1-2,5-8,11-12H,3-4H2

InChI Key

RVYRSLQPTCIBMM-UHFFFAOYSA-N

Formula

C12H12O2

SMILES

O=C1C=CC(=O)C2C3C=CC(CC3)C12

Molecular Weight¹

188.22

CAS

2816-25-3

Other Names

• Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.22; 499.38]	J/mol×K	[636.28; 893.95]
Cp,gas	404.22	J/mol×K	636.28	Joback Calculated Property
Cp,gas	423.53	J/mol×K	679.22	Joback Calculated Property
Cp,gas	441.40	J/mol×K	722.17	Joback Calculated Property
Cp,gas	457.87	J/mol×K	765.11	Joback Calculated Property
Cp,gas	473.00	J/mol×K	808.06	Joback Calculated Property
Cp,gas	486.82	J/mol×K	851.00	Joback Calculated Property
Cp,gas	499.38	J/mol×K	893.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-(2s,7R)-Tricyclo[6.2.2.0(2,7)]-4,9-dodecadiene-3,6-dione.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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