- InChI
- InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1
- InChI Key
- JJTUDXZGHPGLLC-IMJSIDKUSA-N
- Formula
- C6H8O4
- SMILES
- CC1OC(=O)C(C)OC1=O
- Molecular Weight1
- 144.13
- CAS
- 4511-42-6
- Other Names
-
- (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
- (3S-cis)-3,6-dimethyl-1,4-dioxane-2,5-dione
- (S,S)-lactide
- (l) 3,6-dimethyl-1,4-dioxane-2,5-dione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -758.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.20 | kJ/mol | Determination and Correlation of Solubility Data and Dissolution Thermodynamic Data of l-Lactide in Different Pure Solvents |
| ΔvapH° | 66.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.137 | Crippen Calculated Property | |
| McVol | 99.420 | ml/mol | McGowan Calculated Property |
| Tboil | 505.23 | K | Relay (1.0) Calculated Property |
| Tfus | 405.69 | K | Relay (1.0) Calculated Property |
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 |
|---|---|---|---|---|
| ΔfusH | 16.94 | kJ/mol | 366.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.15; 329.71] | 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 | 9.07000e+00 | |||
| Coefficient B | 5.98240e-01 | |||
| Coefficient C | -3.24600e-04 | |||
| Coefficient D | 4.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 296.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 310.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 321.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 329.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015271; 0.0005081] | Pa×s | [259.26; 447.63] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.09931e+00 | |||
| Coefficient B | 6.77940e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 259.26 | |||
| Temperature range, max. | 447.63 | |||
| η | 0.0015271 | Pa×s | 259.26 | Calculated Property |
| η | 0.0012561 | Pa×s | 280.19 | Calculated Property |
| η | 0.0010617 | Pa×s | 301.12 | Calculated Property |
| η | 0.0009171 | Pa×s | 322.05 | Calculated Property |
| η | 0.0008066 | Pa×s | 342.98 | Calculated Property |
| η | 0.0007199 | Pa×s | 363.91 | Calculated Property |
| η | 0.0006505 | Pa×s | 384.84 | Calculated Property |
| η | 0.0005940 | Pa×s | 405.77 | Calculated Property |
| η | 0.0005473 | Pa×s | 426.70 | Calculated Property |
| η | 0.0005081 | Pa×s | 447.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-.
Mixtures
- Propane + Ethanol + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Carbon dioxide + Ethanol + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Ethanol + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Ethyl Acetate + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Acetone + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- 2-Propanol + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Methyl Alcohol + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
- Toluene + 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-
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
- Phase behaviour of pseudo-binary systems of pressurized ((propane + L,L-lactide)) at different ethanol to L,L-lactide mole ratios
- High-pressure phase equilibrium data for the (carbon dioxide + L-lactide + ethanol) system
- Determination and Correlation of Solubility Data and Dissolution Thermodynamic Data of l-Lactide in Different Pure Solvents
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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