Chemical Properties of 1,4-Dioxane-2,5-dione, 3,6-dimethyl- (CAS 95-96-5)

InChI

InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3

InChI Key

JJTUDXZGHPGLLC-UHFFFAOYSA-N

Formula

C6H8O4

SMILES

CC1OC(=O)C(C)OC1=O

Molecular Weight¹

144.13

CAS

95-96-5

Other Names

• (3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
• (3R-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
• 3,6-Dimethyl-1,4-dioxane-2,5-dione
• 3,6-Dimethyl-2,5-dioxo-1,4-dioxane
• D-lactide
• Lactide
• Propanoic acid, 2-hydroxy-, bimol. cyclic ester
• dilactide
• dl-Lactide
• p-Dioxane-2,5-dione, 3,6-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.20; 271.18]	J/mol×K	[451.12; 639.48]
Cp,gas	217.20	J/mol×K	451.12	Joback Calculated Property
Cp,gas	227.44	J/mol×K	482.51	Joback Calculated Property
Cp,gas	237.16	J/mol×K	513.91	Joback Calculated Property
Cp,gas	246.39	J/mol×K	545.30	Joback Calculated Property
Cp,gas	255.13	J/mol×K	576.69	Joback Calculated Property
Cp,gas	263.39	J/mol×K	608.08	Joback Calculated Property
Cp,gas	271.18	J/mol×K	639.48	Joback Calculated Property
η	[0.0005022; 0.0015271]	Pa×s	[259.26; 451.12]
η	0.0015271	Pa×s	259.26	Joback Calculated Property
η	0.0011460	Pa×s	291.24	Joback Calculated Property
η	0.0009102	Pa×s	323.21	Joback Calculated Property
η	0.0007536	Pa×s	355.19	Joback Calculated Property
η	0.0006437	Pa×s	387.17	Joback Calculated Property
η	0.0005632	Pa×s	419.14	Joback Calculated Property
η	0.0005022	Pa×s	451.12	Joback Calculated Property
ΔfusH	24.70	kJ/mol	397.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2,5-dione, 3,6-dimethyl-.

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
• Determination and Correlation of Solubility Data and Dissolution Thermodynamic Data of l-Lactide in Different Pure Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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