Chemical Properties of 1,5,5-trimethyl-9-oxabicyclo[4.3]non-6-en-3-one

InChI

InChI=1S/C11H16O2/c1-10(2)6-8(12)7-11(3)9(10)4-5-13-11/h4H,5-7H2,1-3H3

InChI Key

XSBKKKQUAMYPAW-UHFFFAOYSA-N

Formula

C11H16O2

SMILES

CC1(C)CC(=O)CC2(C)OCC=C12

Molecular Weight¹

180.24

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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°	-72.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.16	kJ/mol	Joback Calculated Property
ΔfusH°	9.94	kJ/mol	Joback Calculated Property
ΔvapH°	47.83	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.091		Crippen Calculated Property
McVol	147.270	ml/mol	McGowan Calculated Property
Pc	3079.57	kPa	Joback Calculated Property
Inp	[1500.00; 1500.00]
Inp	1500.00		NIST
Inp	1500.00		NIST
I	[2090.00; 2090.00]
I	2090.00		NIST
I	2090.00		NIST
Tboil	576.76	K	Joback Calculated Property
Tc	823.41	K	Joback Calculated Property
Tfus	394.92	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.12; 479.66]	J/mol×K	[576.76; 823.41]
Cp,gas	384.12	J/mol×K	576.76	Joback Calculated Property
Cp,gas	401.95	J/mol×K	617.87	Joback Calculated Property
Cp,gas	418.65	J/mol×K	658.98	Joback Calculated Property
Cp,gas	434.48	J/mol×K	700.08	Joback Calculated Property
Cp,gas	449.74	J/mol×K	741.19	Joback Calculated Property
Cp,gas	464.70	J/mol×K	782.30	Joback Calculated Property
Cp,gas	479.66	J/mol×K	823.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,5,5-trimethyl-9-oxabicyclo[4.3]non-6-en-3-one.

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.