- InChI
- InChI=1S/C7H10N2O4/c1-2-13-7(12)5-6(11)8-3-4(10)9-5/h5H,2-3H2,1H3,(H,8,11)(H,9,10)
- InChI Key
- JGDBWGPIUGDQTO-UHFFFAOYSA-N
- Formula
- C7H10N2O4
- SMILES
- CCOC(=O)C1NC(=O)CNC1=O
- Molecular Weight1
- 186.17
- CAS
- 86750-34-7
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5611 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.836 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 4333.96 | kPa | Joback Calculated Property |
| Tboil | 564.66 | K | Relay (1.0) Calculated Property |
| Tc | 806.84 | K | Relay (1.0) Calculated Property |
| Tfus | 434.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.14; 424.78] | J/mol×K | [688.14; 938.95] | 
|
| Cp,gas | 355.14 | J/mol×K | 688.14 | Joback Calculated Property |
| Cp,gas | 369.76 | J/mol×K | 729.94 | Joback Calculated Property |
| Cp,gas | 383.33 | J/mol×K | 771.74 | Joback Calculated Property |
| Cp,gas | 395.74 | J/mol×K | 813.55 | Joback Calculated Property |
| Cp,gas | 406.87 | J/mol×K | 855.35 | Joback Calculated Property |
| Cp,gas | 416.59 | J/mol×K | 897.15 | Joback Calculated Property |
| Cp,gas | 424.78 | J/mol×K | 938.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Carbethoxy-2,5-piperazinedione.
Sources
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