Chemical Properties of Oxetane, 3-bromomethyl-3-(4-methylphenyloxy)methyl

InChI

InChI=1S/C12H15BrO2/c1-10-2-4-11(5-3-10)15-9-12(6-13)7-14-8-12/h2-5H,6-9H2,1H3

InChI Key

SOSJWBCYCPPDLJ-UHFFFAOYSA-N

Formula

C12H15BrO2

SMILES

Cc1ccc(OCC2(CBr)COC2)cc1

Molecular Weight¹

271.15

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5723		Relay (1.0) Calculated Property
ΔfG°	19.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.68	kJ/mol	Joback Calculated Property
ΔvapH°	76.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.785		Crippen Calculated Property
McVol	174.560	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1812.00; 1812.00]
Inp	1812.00		NIST
Inp	1812.00		NIST
Tboil	608.59	K	Relay (1.0) Calculated Property
Tc	809.67	K	Relay (1.0) Calculated Property
Tfus	343.32	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.69; 512.94]	J/mol×K	[632.40; 873.82]
Cp,gas	430.69	J/mol×K	632.40	Joback Calculated Property
Cp,gas	446.19	J/mol×K	672.64	Joback Calculated Property
Cp,gas	460.73	J/mol×K	712.87	Joback Calculated Property
Cp,gas	474.49	J/mol×K	753.11	Joback Calculated Property
Cp,gas	487.66	J/mol×K	793.35	Joback Calculated Property
Cp,gas	500.41	J/mol×K	833.58	Joback Calculated Property
Cp,gas	512.94	J/mol×K	873.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-bromomethyl-3-(4-methylphenyloxy)methyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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