Chemical Properties of Oxetane, 3-methyl-3-phenoxymethyl

InChI

InChI=1S/C11H14O2/c1-11(7-12-8-11)9-13-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChI Key

DMVWICDWJIUWPO-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC1(COc2ccccc2)COC1

Molecular Weight¹

178.23

• ω : Acentric Factor.
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4714		Relay (1.0) Calculated Property
ΔfH°gas	-216.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.19	kJ/mol	Joback Calculated Property
ΔvapH°	63.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-2.14		Relay (1.0) Calculated Property
logPoct/wat	2.102		Crippen Calculated Property
McVol	142.970	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[1450.00; 1450.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Tboil	533.33	K	Relay (1.0) Calculated Property
Tc	747.60	K	Relay (1.0) Calculated Property
Tfus	332.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.08; 495.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.03549e+02
Coefficient B			1.33692e+00
Coefficient C			-1.18730e-03
Coefficient D			4.49100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.08	J/mol×K	273.00	Calculated Property
Cp,gas	240.71	J/mol×K	353.78	Calculated Property
Cp,gas	290.06	J/mol×K	434.56	Calculated Property
Cp,gas	331.56	J/mol×K	515.33	Calculated Property
Cp,gas	366.63	J/mol×K	596.11	Calculated Property
Cp,gas	396.68	J/mol×K	676.89	Calculated Property
Cp,gas	423.14	J/mol×K	757.67	Calculated Property
Cp,gas	447.43	J/mol×K	838.44	Calculated Property
Cp,gas	470.97	J/mol×K	919.22	Calculated Property
Cp,gas	495.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-methyl-3-phenoxymethyl.

Sources

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

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