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

InChI

InChI=1S/C5H8BrClO/c6-1-5(2-7)3-8-4-5/h1-4H2

InChI Key

WHFZYXGDOQLICS-UHFFFAOYSA-N

Formula

C5H8BrClO

SMILES

ClCC1(CBr)COC1

Molecular Weight¹

199.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfH°gas	-173.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.90	kJ/mol	Joback Calculated Property
ΔvapH°	56.50	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.637		Crippen Calculated Property
McVol	106.060	ml/mol	McGowan Calculated Property
Inp	[1155.00; 1155.00]
Inp	1155.00		NIST
Inp	1155.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[194.34; 244.77]	J/mol×K	[455.79; 683.23]
Cp,gas	194.34	J/mol×K	455.79	Joback Calculated Property
Cp,gas	204.88	J/mol×K	493.70	Joback Calculated Property
Cp,gas	214.37	J/mol×K	531.60	Joback Calculated Property
Cp,gas	222.96	J/mol×K	569.51	Joback Calculated Property
Cp,gas	230.79	J/mol×K	607.41	Joback Calculated Property
Cp,gas	238.01	J/mol×K	645.32	Joback Calculated Property
Cp,gas	244.77	J/mol×K	683.23	Joback Calculated Property

Similar Compounds

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

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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