- 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-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.6130 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°solid | -2712.50 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | -758.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -792.10 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 21.34 | kJ/mol | Joback Calculated Property |
| 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 |
| Pc | 3400.47 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tboil | 505.23 | K | Relay (1.0) Calculated Property |
| Tc | 750.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 393.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.390 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | 24.70 | kJ/mol | 397.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.20 | K | 1.00 | 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 | [0.0006247; 0.0004065] | Pa×s | [393.90; 525.00] |
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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 393.90 | |||
| Temperature range, max. | 525.00 | |||
| η | 0.0006247 | Pa×s | 393.90 | Calculated Property |
| η | 0.0005875 | Pa×s | 408.47 | Calculated Property |
| η | 0.0005549 | Pa×s | 423.03 | Calculated Property |
| η | 0.0005261 | Pa×s | 437.60 | Calculated Property |
| η | 0.0005005 | Pa×s | 452.17 | Calculated Property |
| η | 0.0004776 | Pa×s | 466.73 | Calculated Property |
| η | 0.0004570 | Pa×s | 481.30 | Calculated Property |
| η | 0.0004385 | Pa×s | 495.87 | Calculated Property |
| η | 0.0004217 | Pa×s | 510.43 | Calculated Property |
| η | 0.0004065 | Pa×s | 525.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dioxane-2,5-dione, 3,6-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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