- InChI
- InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
- InChI Key
- WWISPHBAYBECQZ-UHFFFAOYSA-N
- Formula
- C6H10N2O2
- SMILES
- CC1NC(=O)C(C)NC1=O
- Molecular Weight1
- 142.16
- CAS
- 5625-46-7
- Other Names
-
- 2,5-Piperazinedione, 3,6-dimethyl-
- 3,6-Dimethyl-2,5-piperazinedione
- 3,6-Dimethyldiketopiperazine
- Alanine anhydride
- dl-Alanine anhydride
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Psub : Sublimation pressure (kPa).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔcH°solid | [-3301.10; -3300.00] | kJ/mol |
|
| ΔcH°solid | -3300.00 | kJ/mol | NIST |
| ΔcH°solid | -3301.10 | kJ/mol | NIST |
| ΔfG° | -53.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.08 | kJ/mol | Joback Calculated Property |
| log10WS | -0.38 | Crippen Calculated Property | |
| logPoct/wat | -0.991 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Tboil | 584.30 | K | Joback Calculated Property |
| Tc | 839.12 | K | Joback Calculated Property |
| Tfus | 507.02 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.31; 351.30] | J/mol×K | [584.30; 839.12] |
|
| Cp,gas | 269.31 | J/mol×K | 584.30 | Joback Calculated Property |
| Cp,gas | 285.07 | J/mol×K | 626.77 | Joback Calculated Property |
| Cp,gas | 300.14 | J/mol×K | 669.24 | Joback Calculated Property |
| Cp,gas | 314.42 | J/mol×K | 711.71 | Joback Calculated Property |
| Cp,gas | 327.78 | J/mol×K | 754.18 | Joback Calculated Property |
| Cp,gas | 340.11 | J/mol×K | 796.65 | Joback Calculated Property |
| Cp,gas | 351.30 | J/mol×K | 839.12 | Joback Calculated Property |
| Psub | [1.16e-04; 9.77e-04] | kPa | [388.13; 410.15] |
|
| Psub | 1.16e-04 | kPa | 388.13 | Experim... |
| Psub | 1.16e-04 | kPa | 388.13 | Experim... |
| Psub | 1.26e-04 | kPa | 388.13 | Experim... |
| Psub | 1.49e-04 | kPa | 390.16 | Experim... |
| Psub | 1.40e-04 | kPa | 390.16 | Experim... |
| Psub | 1.42e-04 | kPa | 390.16 | Experim... |
| Psub | 1.79e-04 | kPa | 392.15 | Experim... |
| Psub | 1.71e-04 | kPa | 392.15 | Experim... |
| Psub | 2.12e-04 | kPa | 394.13 | Experim... |
| Psub | 2.16e-04 | kPa | 394.13 | Experim... |
| Psub | 2.47e-04 | kPa | 396.14 | Experim... |
| Psub | 2.67e-04 | kPa | 396.14 | Experim... |
| Psub | 2.60e-04 | kPa | 396.14 | Experim... |
| Psub | 2.98e-04 | kPa | 398.15 | Experim... |
| Psub | 3.25e-04 | kPa | 398.15 | Experim... |
| Psub | 3.09e-04 | kPa | 398.15 | Experim... |
| Psub | 3.88e-04 | kPa | 400.13 | Experim... |
| Psub | 3.87e-04 | kPa | 400.13 | Experim... |
| Psub | 3.71e-04 | kPa | 400.13 | Experim... |
| Psub | 4.54e-04 | kPa | 402.13 | Experim... |
| Psub | 4.63e-04 | kPa | 402.13 | Experim... |
| Psub | 4.36e-04 | kPa | 402.13 | Experim... |
| Psub | 5.43e-04 | kPa | 404.15 | Experim... |
| Psub | 5.63e-04 | kPa | 404.15 | Experim... |
| Psub | 6.77e-04 | kPa | 406.14 | Experim... |
| Psub | 6.93e-04 | kPa | 406.14 | Experim... |
| Psub | 6.96e-04 | kPa | 406.14 | Experim... |
| Psub | 7.85e-04 | kPa | 408.14 | Experim... |
| Psub | 8.18e-04 | kPa | 408.14 | Experim... |
| Psub | 8.21e-04 | kPa | 408.14 | Experim... |
| Psub | 9.77e-04 | kPa | 410.15 | Experim... |
| Psub | 9.55e-04 | kPa | 410.15 | Experim... |
| Psub | 9.27e-04 | kPa | 410.15 | Experim... |
Similar Compounds
Find more compounds similar to 3,6-Dimethylpiperazine-2,5-dione.
Mixtures
- 3,6-Dimethylpiperazine-2,5-dione + Water
- cobalt trichloride + 3,6-Dimethylpiperazine-2,5-dione + Water
Sources
- Crippen Method
- Crippen Method
- Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
- Volumetric, Acoustic, and Refractometric Study of Cyclic Alanylalanine in Aqueous Cobalt Chloride Solutions at Temperatures T = (293.15 to 313.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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