Chemical Properties of Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8,11-dione (CAS 2958-72-7)

InChI

InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2

InChI Key

WTUFOKOJVXNYTJ-UHFFFAOYSA-N

Formula

C11H10O2

SMILES

O=C1C2C3CC4C2C(=O)C2C1C3C42

Molecular Weight¹

174.20

CAS

2958-72-7

Other Names

• Pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8,11-dione
• Pentacyclo[5.4.0.0

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• T_triple : Triple Point Temperature (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	[360.82; 445.76]	J/mol×K	[589.33; 823.53]
Cp,gas	360.82	J/mol×K	589.33	Joback Calculated Property
Cp,gas	377.56	J/mol×K	628.36	Joback Calculated Property
Cp,gas	393.06	J/mol×K	667.40	Joback Calculated Property
Cp,gas	407.48	J/mol×K	706.43	Joback Calculated Property
Cp,gas	420.97	J/mol×K	745.46	Joback Calculated Property
Cp,gas	433.68	J/mol×K	784.49	Joback Calculated Property
Cp,gas	445.76	J/mol×K	823.53	Joback Calculated Property
ΔfusH	[3.94; 5.23]	kJ/mol	[516.80; 516.80]
ΔfusH	5.23	kJ/mol	516.80	NIST
ΔfusH	3.94	kJ/mol	516.80	NIST

Similar Compounds

Find more compounds similar to Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8,11-dione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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