- InChI
- InChI=1S/C9H12N2O3/c10-1-2-11-9(14)6-3-7(12)5-8(13)4-6/h3-5,12-13H,1-2,10H2,(H,11,14)
- InChI Key
- GLIROQWIYXBHOJ-UHFFFAOYSA-N
- Formula
- C9H12N2O3
- SMILES
- NCCNC(=O)c1cc(O)cc(O)c1
- Molecular Weight1
- 196.20
- CAS
- 116465-83-9
- 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° | -145.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.75 | kJ/mol | Joback Calculated Property |
| log10WS | -0.77 | Crippen Calculated Property | |
| logPoct/wat | -0.214 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 5739.21 | kPa | Joback Calculated Property |
| Tboil | 769.81 | K | Joback Calculated Property |
| Tc | 1012.31 | K | Joback Calculated Property |
| Tfus | 626.90 | K | Joback Calculated Property |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.46; 474.73] | J/mol×K | [769.81; 1012.31] | 
|
| Cp,gas | 419.46 | J/mol×K | 769.81 | Joback Calculated Property |
| Cp,gas | 429.05 | J/mol×K | 810.23 | Joback Calculated Property |
| Cp,gas | 438.27 | J/mol×K | 850.64 | Joback Calculated Property |
| Cp,gas | 447.30 | J/mol×K | 891.06 | Joback Calculated Property |
| Cp,gas | 456.27 | J/mol×K | 931.48 | Joback Calculated Property |
| Cp,gas | 465.37 | J/mol×K | 971.89 | Joback Calculated Property |
| Cp,gas | 474.73 | J/mol×K | 1012.31 | Joback Calculated Property |
Similar Compounds
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Sources
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