Chemical Properties of 3-METHYL-3-OXETANEMETHANOL

InChI

InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

InChI Key

NLQMSBJFLQPLIJ-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC1(CO)COC1

Molecular Weight¹

102.13

Other Names

• Oxetane, 3-hydroxymethyl-3-methyl

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[353.00; 353.20]	K	[5.30; 5.30]
Tboilr	353.20	K	5.30	NIST
Tboilr	353.00	K	5.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.15; 304.32]	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			-8.43990e+01
Coefficient B			9.43020e-01
Coefficient C			-9.71100e-04
Coefficient D			4.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.15	J/mol×K	273.00	Calculated Property
Cp,gas	146.13	J/mol×K	353.78	Calculated Property
Cp,gas	176.22	J/mol×K	434.56	Calculated Property
Cp,gas	200.72	J/mol×K	515.33	Calculated Property
Cp,gas	220.96	J/mol×K	596.11	Calculated Property
Cp,gas	238.25	J/mol×K	676.89	Calculated Property
Cp,gas	253.91	J/mol×K	757.67	Calculated Property
Cp,gas	269.27	J/mol×K	838.44	Calculated Property
Cp,gas	285.63	J/mol×K	919.22	Calculated Property
Cp,gas	304.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-METHYL-3-OXETANEMETHANOL.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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