- InChI
- InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
- InChI Key
- PKDGRAULLDDTRN-UHFFFAOYSA-N
- Formula
- C6H10N2O2
- SMILES
- CN1CC(=O)N(C)CC1=O
- Molecular Weight1
- 142.16
- CAS
- 5076-82-4
- Other Names
-
- 1,4-Dimethyl-2,5-dioxopiperazine
- 1,4-Dimethylpiperazine-2,5-dione
- 1,4-Dimethylpiperazine-2,5-dione (chcl3 solution)
- 1,4-Dimethylpiperazine-2,5-dione (oil mull)
- 1,4-dimethyl-2,5-piperazinedione
- 2,5-Piperazinedione, 1,4-dimethyl-
- Cyclo(sarcosylsarcosyl)
- N,N'-Dimethyldiketopiperazine
- NSC 67461
- Sarcosine anhydride, bimol. cyclic
- Sarcosine diketopiperazine
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tc : Critical 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 | -270.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.083 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3959.56 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 537.13 | K | Relay (1.0) Calculated Property |
| Tc | 750.84 | K | Relay (1.0) Calculated Property |
| Tfus | 413.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 |
|---|---|---|---|---|
| ΔvapH | 103.60 | kJ/mol | 298.15 | Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies |
Similar Compounds
Find more compounds similar to Sarcosine anhydride.
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
- Thermodynamics of solvation of some small peptides in water at T = 298.15 K
- Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies
- 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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