Chemical Properties of Oxetane, 3-bromomethyl-3-iodomethyl

InChI

InChI=1S/C5H8BrIO/c6-1-5(2-7)3-8-4-5/h1-4H2

InChI Key

FNEOLQRYEPFPEV-UHFFFAOYSA-N

Formula

C5H8BrIO

SMILES

BrCC1(CI)COC1

Molecular Weight¹

290.93

• 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

Property	Value	Unit	Source
ΔfusH°	16.11	kJ/mol	Joback Calculated Property
logPoct/wat	1.833		Crippen Calculated Property
McVol	119.640	ml/mol	McGowan Calculated Property
Inp	[1322.00; 1322.00]
Inp	1322.00		NIST
Inp	1322.00		NIST

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	[212.91; 260.83]	J/mol×K	[511.50; 770.06]
Cp,gas	212.91	J/mol×K	511.50	Joback Calculated Property
Cp,gas	222.85	J/mol×K	554.59	Joback Calculated Property
Cp,gas	231.70	J/mol×K	597.69	Joback Calculated Property
Cp,gas	239.69	J/mol×K	640.78	Joback Calculated Property
Cp,gas	247.06	J/mol×K	683.87	Joback Calculated Property
Cp,gas	254.03	J/mol×K	726.96	Joback Calculated Property
Cp,gas	260.83	J/mol×K	770.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-bromomethyl-3-iodomethyl.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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