Chemical Properties of 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene- (CAS 127750-96-3)

InChI

InChI=1S/C9H8O2/c1-4-5(2)9-7(10)6(3)8(4)11-9/h8-9H,1-3H2

InChI Key

HLQGJHVUXDBZQM-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

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

Molecular Weight¹

148.16

CAS

127750-96-3

• 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°	84.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.63	kJ/mol	Joback Calculated Property
ΔfusH°	17.25	kJ/mol	Joback Calculated Property
ΔvapH°	44.86	kJ/mol	Joback Calculated Property
IE	[8.80; 9.20]	eV
IE	8.80	eV	NIST
IE	9.20	eV	NIST
log10WS	-1.53		Crippen Calculated Property
logPoct/wat	1.005		Crippen Calculated Property
McVol	110.490	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback Calculated Property
Tboil	515.32	K	Joback Calculated Property
Tc	737.13	K	Joback Calculated Property
Tfus	359.38	K	Joback Calculated Property
Vc	0.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.31; 317.89]	J/mol×K	[515.32; 737.13]
Cp,gas	254.31	J/mol×K	515.32	Joback Calculated Property
Cp,gas	266.44	J/mol×K	552.29	Joback Calculated Property
Cp,gas	277.93	J/mol×K	589.26	Joback Calculated Property
Cp,gas	288.81	J/mol×K	626.23	Joback Calculated Property
Cp,gas	299.08	J/mol×K	663.19	Joback Calculated Property
Cp,gas	308.77	J/mol×K	700.16	Joback Calculated Property
Cp,gas	317.89	J/mol×K	737.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[2.2.1]heptanone, 3,5,6-trimethylidene-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.