Chemical Properties of 5,5-Dimethyl-1,3-dioxan-2-one (CAS 3592-12-9)

InChI

InChI=1S/C6H10O3/c1-6(2)3-8-5(7)9-4-6/h3-4H2,1-2H3

InChI Key

JRFXQKZEGILCCO-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CC1(C)COC(=O)OC1

Molecular Weight¹

130.14

CAS

3592-12-9

Other Names

• 1,3-Dioxan-2-one, 5,5-dimethyl-
• 5,5-Dimethyl-1,3-diox-2-one
• Carbonic acid, cyclic 2,2-dimethyltrimethylene ester
• Neopentylene carbonate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.54; 291.38]	J/mol×K	[478.19; 712.86]
Cp,gas	220.54	J/mol×K	478.19	Joback Calculated Property
Cp,gas	234.18	J/mol×K	517.30	Joback Calculated Property
Cp,gas	246.97	J/mol×K	556.41	Joback Calculated Property
Cp,gas	259.00	J/mol×K	595.52	Joback Calculated Property
Cp,gas	270.35	J/mol×K	634.64	Joback Calculated Property
Cp,gas	281.12	J/mol×K	673.75	Joback Calculated Property
Cp,gas	291.38	J/mol×K	712.86	Joback Calculated Property
ΔfusH	5.62	kJ/mol	387.20	NIST

Similar Compounds

Find more compounds similar to 5,5-Dimethyl-1,3-dioxan-2-one.

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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