Chemical Properties of 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione (CAS 1200-89-1)

InChI

InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,10-11H,5H2

InChI Key

FQLRTGXTYFCECH-UHFFFAOYSA-N

Formula

C11H10O2

SMILES

O=C1C=CC(=O)C2C3C=CC(C3)C12

Molecular Weight¹

174.20

CAS

1200-89-1

Other Names

• 1,4,4-«alpha»,8-«alpha»-Tetrahydro-endo-1,4-methanonaphthalene-5,8-dione
• Cyclopentadienebenzoquinone
• 1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-
• 1,4,4-alpha,8-alpha-Tetrahydro-endo-1,4-methanonaphthalene-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

Property	Value	Unit	Source
ω	0.3812		Relay (... Calculated Property
ΔcH°solid	[-5606.89; -5593.60]	kJ/mol
ΔcH°solid	-5606.89	kJ/mol	NIST
ΔcH°solid	-5593.60 ± 5.40	kJ/mol	NIST
ΔfG°	6.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.91	kJ/mol	Relay (... Calculated Property
ΔfH°solid	-150.90	kJ/mol	NIST
ΔfusH°	16.99	kJ/mol	Joback Calculated Property
ΔvapH°	78.77	kJ/mol	Relay (... Calculated Property
IE	9.25	eV	Relay (... Calculated Property
log10WS	-2.75		Relay (... Calculated Property
logPoct/wat	1.133		Crippen Calculated Property
McVol	127.810	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Tboil	519.25	K	Relay (... Calculated Property
Tc	786.43	K	Relay (... Calculated Property
Tfus	474.30	K	Relay (... Calculated Property
Vc	0.451	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.30; 440.52]	J/mol×K	[609.13; 863.79]
Cp,gas	352.30	J/mol×K	609.13	Joback Calculated Property
Cp,gas	370.02	J/mol×K	651.57	Joback Calculated Property
Cp,gas	386.47	J/mol×K	694.02	Joback Calculated Property
Cp,gas	401.70	J/mol×K	736.46	Joback Calculated Property
Cp,gas	415.74	J/mol×K	778.90	Joback Calculated Property
Cp,gas	428.67	J/mol×K	821.35	Joback Calculated Property
Cp,gas	440.52	J/mol×K	863.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione.

Sources

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

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