- InChI
- InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)
- InChI Key
- ORLDMMKUTCCBSM-UHFFFAOYSA-N
- Formula
- C8H14N2O2
- SMILES
- CC1NC(=O)C(C(C)C)NC1=O
- Molecular Weight1
- 170.21
- CAS
- 22160-42-5
- Other Names
-
- 3-methyl-6-(1-methylethyl)-2,5-piperazinedione
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -38.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.14 | kJ/mol | Joback Calculated Property |
| log10WS | -0.98 | Crippen Calculated Property | |
| logPoct/wat | -0.355 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Tboil | 629.62 | K | Joback Calculated Property |
| Tc | 878.66 | K | Joback Calculated Property |
| Tfus | 514.56 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.38; 458.58] | J/mol×K | [629.62; 878.66] | 
|
| Cp,gas | 367.38 | J/mol×K | 629.62 | Joback Calculated Property |
| Cp,gas | 385.38 | J/mol×K | 671.13 | Joback Calculated Property |
| Cp,gas | 402.39 | J/mol×K | 712.63 | Joback Calculated Property |
| Cp,gas | 418.32 | J/mol×K | 754.14 | Joback Calculated Property |
| Cp,gas | 433.05 | J/mol×K | 795.64 | Joback Calculated Property |
| Cp,gas | 446.50 | J/mol×K | 837.15 | Joback Calculated Property |
| Cp,gas | 458.58 | J/mol×K | 878.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-.
Sources
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