Chemical Properties of Oxetane, 3-bromomethyl-3-[2-methyl-1-(3-methylphenyloxy)propyl]

InChI

InChI=1S/C15H21BrO2/c1-11(2)14(15(8-16)9-17-10-15)18-13-6-4-5-12(3)7-13/h4-7,11,14H,8-10H2,1-3H3

InChI Key

JEDKQECCXUMCPK-UHFFFAOYSA-N

Formula

C15H21BrO2

SMILES

Cc1cccc(OC(C(C)C)C2(CBr)COC2)c1

Molecular Weight¹

313.23

• 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	[586.84; 684.19]	J/mol×K	[700.36; 936.76]
Cp,gas	586.84	J/mol×K	700.36	Joback Calculated Property
Cp,gas	604.74	J/mol×K	739.76	Joback Calculated Property
Cp,gas	621.72	J/mol×K	779.16	Joback Calculated Property
Cp,gas	637.97	J/mol×K	818.56	Joback Calculated Property
Cp,gas	653.68	J/mol×K	857.96	Joback Calculated Property
Cp,gas	669.02	J/mol×K	897.36	Joback Calculated Property
Cp,gas	684.19	J/mol×K	936.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-bromomethyl-3-[2-methyl-1-(3-methylphenyloxy)propyl].

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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