Chemical Properties of Oxetane, 3-bromomethyl-3-(2-chlorophenyloxy)methyl

InChI

InChI=1S/C11H12BrClO2/c12-5-11(6-14-7-11)8-15-10-4-2-1-3-9(10)13/h1-4H,5-8H2

InChI Key

GJBLFJPTYOCVOG-UHFFFAOYSA-N

Formula

C11H12BrClO2

SMILES

Clc1ccccc1OCC1(CBr)COC1

Molecular Weight¹

291.57

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.06	kJ/mol	Joback Calculated Property
ΔfusH°	26.28	kJ/mol	Joback Calculated Property
ΔvapH°	59.69	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	3.130		Crippen Calculated Property
McVol	172.710	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[1884.00; 1884.00]
Inp	1884.00		NIST
Inp	1884.00		NIST
Tboil	646.95	K	Joback Calculated Property
Tc	896.66	K	Joback Calculated Property
Tfus	429.51	K	Joback Calculated Property
Vc	0.640	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.59; 479.96]	J/mol×K	[646.95; 896.66]
Cp,gas	406.59	J/mol×K	646.95	Joback Calculated Property
Cp,gas	420.28	J/mol×K	688.57	Joback Calculated Property
Cp,gas	433.12	J/mol×K	730.19	Joback Calculated Property
Cp,gas	445.31	J/mol×K	771.81	Joback Calculated Property
Cp,gas	457.04	J/mol×K	813.42	Joback Calculated Property
Cp,gas	468.52	J/mol×K	855.04	Joback Calculated Property
Cp,gas	479.96	J/mol×K	896.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-bromomethyl-3-(2-chlorophenyloxy)methyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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