Chemical Properties of 7-Oxabicyclo[2.2.1]heptane-2,5-dione, 3,6-dimethylidene- (CAS 127750-98-5)

InChI

InChI=1S/C8H6O3/c1-3-5(9)8-4(2)6(10)7(3)11-8/h7-8H,1-2H2

InChI Key

YIHLCAOATGPYBG-UHFFFAOYSA-N

Formula

C8H6O3

SMILES

C=C1C(=O)C2OC1C(=O)C2=C

Molecular Weight¹

150.13

CAS

127750-98-5

• 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_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
ΔfG°	-99.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.93	kJ/mol	Joback Calculated Property
ΔfusH°	15.33	kJ/mol	Joback Calculated Property
ΔvapH°	46.72	kJ/mol	Joback Calculated Property
IE	[9.10; 9.40]	eV
IE	9.10	eV	NIST
IE	9.40	eV	NIST
log10WS	-0.54		Crippen Calculated Property
logPoct/wat	0.018		Crippen Calculated Property
McVol	102.270	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
Tboil	561.10	K	Joback Calculated Property
Tc	800.43	K	Joback Calculated Property
Tfus	402.65	K	Joback Calculated Property
Vc	0.393	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.41; 313.43]	J/mol×K	[561.10; 800.43]
Cp,gas	250.41	J/mol×K	561.10	Joback Calculated Property
Cp,gas	262.49	J/mol×K	600.99	Joback Calculated Property
Cp,gas	273.95	J/mol×K	640.88	Joback Calculated Property
Cp,gas	284.80	J/mol×K	680.76	Joback Calculated Property
Cp,gas	295.00	J/mol×K	720.65	Joback Calculated Property
Cp,gas	304.55	J/mol×K	760.54	Joback Calculated Property
Cp,gas	313.43	J/mol×K	800.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[2.2.1]heptane-2,5-dione, 3,6-dimethylidene-.

Sources

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

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