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

1,4-Dioxane-2,5-dione, 3,6-dimethyl-

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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
  • 3,6-Dimethyl-1,4-dioxane-2,5-dione
  • 3,6-Dimethyl-2,5-dioxo-1,4-dioxane
  • Lactide
  • Propanoic acid, 2-hydroxy-, bimol. cyclic ester
  • dilactide
  • dl-Lactide
  • p-Dioxane-2,5-dione, 3,6-dimethyl-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2712.50 ± 1.70 kJ/mol NIST
Δf -401.04 kJ/mol Joback Calculated Property
Δfgas -672.59 kJ/mol Joback Calculated Property
Δfsolid -792.10 ± 1.70 kJ/mol NIST
Δfus 19.18 kJ/mol Joback Calculated Property
Δvap 46.58 kJ/mol Joback Calculated Property
logPoct/wat -0.14 Crippen Calculated Property
Pc 4056.96 kPa Joback Calculated Property
Tboil 415.20 K NIST
Tc 782.11 K Joback Calculated Property
Tfus 350.10 K Joback Calculated Property
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 245.08 J/mol×K 541.1 Joback Calculated Property
ΔfusH 24.70 kJ/mol 397.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
-CH3 2
>CH- (ring) 2
>C=O (ring) 2

Similar Compounds

1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-. DL-Lactide. ethyl 2-acetoxypropanoate. Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester. Lactic acid, butyl ester, acrylate. Ethyl 2-ethoxypropanoate. 2-acetoxypropanoic acid. Tartronic acid, diethyl ester, acetate. di-(1-Methyl-2-methoxybutyl)oxalate. 5-Oxotetrahydrofuran-2-carboxylic acid, ethyl ester. Acetoxyacetic acid, 3-methylbut-2-yl ester. (S)-Isopropyl lactate. Propylene glycol dipropionate. Ethyl 2,3-diethoxypropanoate. Propanoic acid, 2-(1-ethoxyethoxy)-, ethyl ester.

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