Chemical Properties of Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester (CAS 92618-89-8)

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3

InChI Key

KGEKLUUHTZCSIP-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

196.29

CAS

92618-89-8

Other Names

• Acetic acid, bornyl ester
• NSC 163480

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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
Cp,gas	[431.16; 530.72]	J/mol×K	[541.27; 754.43]
Cp,gas	431.16	J/mol×K	541.27	Joback Calculated Property
Cp,gas	450.38	J/mol×K	576.80	Joback Calculated Property
Cp,gas	468.27	J/mol×K	612.32	Joback Calculated Property
Cp,gas	485.04	J/mol×K	647.85	Joback Calculated Property
Cp,gas	500.90	J/mol×K	683.38	Joback Calculated Property
Cp,gas	516.05	J/mol×K	718.90	Joback Calculated Property
Cp,gas	530.72	J/mol×K	754.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester.

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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