Chemical Properties of cis-Methylcyclopropanecarboxylate, 2-methyl-2-phenyl

InChI

InChI=1S/C12H14O2/c1-12(8-10(12)11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-,12+/m0/s1

InChI Key

OTRGRBMQMYBGDZ-PWSUYJOCSA-N

Formula

C12H14O2

SMILES

COC(=O)[C@@H]1C[C@]1(C)c1ccccc1

Molecular Weight¹

190.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[374.92; 458.81]	J/mol×K	[561.37; 788.99]
Cp,gas	374.92	J/mol×K	561.37	Joback Calculated Property
Cp,gas	391.41	J/mol×K	599.31	Joback Calculated Property
Cp,gas	406.69	J/mol×K	637.24	Joback Calculated Property
Cp,gas	420.92	J/mol×K	675.18	Joback Calculated Property
Cp,gas	434.24	J/mol×K	713.12	Joback Calculated Property
Cp,gas	446.82	J/mol×K	751.05	Joback Calculated Property
Cp,gas	458.81	J/mol×K	788.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Methylcyclopropanecarboxylate, 2-methyl-2-phenyl.

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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