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

234.33

• 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°	25.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.77	kJ/mol	Joback Calculated Property
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
ΔvapH°	57.00	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.435		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[1654.00; 1654.00]
Inp	1654.00		NIST
Inp	1654.00		NIST
Tboil	634.00	K	Joback Calculated Property
Tc	859.32	K	Joback Calculated Property
Tfus	354.87	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.72; 644.30]	J/mol×K	[634.00; 859.32]
Cp,gas	541.72	J/mol×K	634.00	Joback Calculated Property
Cp,gas	561.11	J/mol×K	671.55	Joback Calculated Property
Cp,gas	579.38	J/mol×K	709.11	Joback Calculated Property
Cp,gas	596.69	J/mol×K	746.66	Joback Calculated Property
Cp,gas	613.17	J/mol×K	784.22	Joback Calculated Property
Cp,gas	629.00	J/mol×K	821.77	Joback Calculated Property
Cp,gas	644.30	J/mol×K	859.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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