Chemical Properties of 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-, (1S)- (CAS 595-31-3)

InChI

InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3

InChI Key

VFZDNKRDYPTSTP-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

CC12CCC(C(=O)OC1=O)C2(C)C

Molecular Weight¹

182.22

CAS

595-31-3

Other Names

• (1S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
• (d)-camphoric anhydride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[5.65; 8.70]	kJ/mol	[493.60; 495.00]
ΔfusH	5.65	kJ/mol	493.60	NIST
ΔfusH	8.70	kJ/mol	495.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.85; 523.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.38890e+02
Coefficient B			1.58986e+00
Coefficient C			-1.63180e-03
Coefficient D			7.04100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.85	J/mol×K	273.00	Calculated Property
Cp,gas	250.51	J/mol×K	353.78	Calculated Property
Cp,gas	301.62	J/mol×K	434.56	Calculated Property
Cp,gas	343.42	J/mol×K	515.33	Calculated Property
Cp,gas	378.13	J/mol×K	596.11	Calculated Property
Cp,gas	407.98	J/mol×K	676.89	Calculated Property
Cp,gas	435.19	J/mol×K	757.67	Calculated Property
Cp,gas	461.99	J/mol×K	838.44	Calculated Property
Cp,gas	490.61	J/mol×K	919.22	Calculated Property
Cp,gas	523.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-, (1S)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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