- 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-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4169 | Relay (... Calculated Property | |
| ΔcH°solid | -2712.50 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -401.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.67 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -792.10 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 16.21 | kJ/mol | Determi... |
| ΔvapH° | 65.87 | kJ/mol | Relay (... Calculated Property |
| IE | 10.22 | eV | Relay (... Calculated Property |
| log10WS | -1.05 | Relay (... Calculated Property | |
| logPoct/wat | -0.137 | Crippen Calculated Property | |
| McVol | 99.420 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| Tboil | 505.23 | K | Relay (... Calculated Property |
| Tc | 675.74 | K | Relay (... Calculated Property |
| Tfus | 413.16 | K | Relay (... Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.08; 319.11] | J/mol×K | [541.10; 782.11] | 
|
| Cp,gas | 245.08 | J/mol×K | 541.10 | Joback Calculated Property |
| Cp,gas | 259.00 | J/mol×K | 581.27 | Joback Calculated Property |
| Cp,gas | 272.40 | J/mol×K | 621.44 | Joback Calculated Property |
| Cp,gas | 285.18 | J/mol×K | 661.61 | Joback Calculated Property |
| Cp,gas | 297.28 | J/mol×K | 701.78 | Joback Calculated Property |
| Cp,gas | 308.62 | J/mol×K | 741.94 | Joback Calculated Property |
| Cp,gas | 319.11 | J/mol×K | 782.11 | Joback Calculated Property |
| ΔfusH | 24.70 | kJ/mol | 397.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Dioxane-2,5-dione, 3,6-dimethyl-.
Sources
- Cheméo Relay (1.0)
- 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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