Chemical Properties of ((1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl)methyl acetate (CAS 54999-63-2)

InChI

InChI=1S/C12H20O2/c1-8(2)6-10-11(12(10,4)5)7-14-9(3)13/h6,10-11H,7H2,1-5H3/t10-,11-/m0/s1

InChI Key

OTWVMTYIYNDIOQ-QWRGUYRKSA-N

Formula

C12H20O2

SMILES

CC(=O)OCC1C(C=C(C)C)C1(C)C

Molecular Weight¹

196.29

CAS

54999-63-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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
Cp,gas	[426.29; 517.21]	J/mol×K	[534.06; 729.93]
Cp,gas	426.29	J/mol×K	534.06	Joback Calculated Property
Cp,gas	443.64	J/mol×K	566.71	Joback Calculated Property
Cp,gas	459.98	J/mol×K	599.35	Joback Calculated Property
Cp,gas	475.41	J/mol×K	632.00	Joback Calculated Property
Cp,gas	490.03	J/mol×K	664.64	Joback Calculated Property
Cp,gas	503.93	J/mol×K	697.29	Joback Calculated Property
Cp,gas	517.21	J/mol×K	729.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to ((1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl)methyl acetate.

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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