Chemical Properties of 1,7,7-Trimethyl-2-norbornanone dimethyl ketal

InChI

InChI=1S/C12H22O2/c1-10(2)9-6-7-11(10,3)12(8-9,13-4)14-5/h9H,6-8H2,1-5H3

InChI Key

RRCYFCPKYNYACP-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

COC1(OC)CC2CCC1(C)C2(C)C

Molecular Weight¹

198.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.83; 671.98]	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			-2.00720e+02
Coefficient B			2.13240e+00
Coefficient C			-2.28800e-03
Coefficient D			1.02830e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.83	J/mol×K	273.00	Calculated Property
Cp,gas	312.84	J/mol×K	353.78	Calculated Property
Cp,gas	378.25	J/mol×K	434.56	Calculated Property
Cp,gas	431.29	J/mol×K	515.33	Calculated Property
Cp,gas	475.21	J/mol×K	596.11	Calculated Property
Cp,gas	513.28	J/mol×K	676.89	Calculated Property
Cp,gas	548.74	J/mol×K	757.67	Calculated Property
Cp,gas	584.84	J/mol×K	838.44	Calculated Property
Cp,gas	624.84	J/mol×K	919.22	Calculated Property
Cp,gas	671.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,7,7-Trimethyl-2-norbornanone dimethyl ketal.

Sources

• 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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