Chemical Properties of Oxetane, 3-methyl-3-(2-methyl-1-[3-methylphenyloxy)propyl]

InChI

InChI=1S/C15H22O2/c1-11(2)14(15(4)9-16-10-15)17-13-7-5-6-12(3)8-13/h5-8,11,14H,9-10H2,1-4H3

InChI Key

CVQOPSMFHSOTRA-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

Cc1cccc(OC(C(C)C)C2(C)COC2)c1

Molecular Weight¹

234.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	3.435		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Inp	[1654.00; 1654.00]
Inp	1654.00		NIST
Inp	1654.00		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 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	[541.83; 644.41]	J/mol×K	[634.20; 859.60]
Cp,gas	541.83	J/mol×K	634.20	Joback Calculated Property
Cp,gas	561.21	J/mol×K	671.77	Joback Calculated Property
Cp,gas	579.49	J/mol×K	709.33	Joback Calculated Property
Cp,gas	596.79	J/mol×K	746.90	Joback Calculated Property
Cp,gas	613.28	J/mol×K	784.46	Joback Calculated Property
Cp,gas	629.10	J/mol×K	822.03	Joback Calculated Property
Cp,gas	644.41	J/mol×K	859.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxetane, 3-methyl-3-(2-methyl-1-[3-methylphenyloxy)propyl].

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

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