- InChI
- InChI=1S/C12H15N3O2/c1-14(2)7-5-6-8(15(3)4)10-9(7)11(16)13-12(10)17/h5-6H,1-4H3,(H,13,16,17)
- InChI Key
- DVPKTCDGEYAOSB-UHFFFAOYSA-N
- Formula
- C12H15N3O2
- SMILES
-
CN(C)c1ccc(N(C)C)c2c1C(=O)NC2=
O - Molecular Weight1
- 233.27
- CAS
- 5972-07-6
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | 266.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 0.702 | Crippen Calculated Property | |
| McVol | 178.400 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 736.06 | K | Joback Calculated Property |
| Tc | 975.10 | K | Joback Calculated Property |
| Tfus | 617.57 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.51; 583.79] | J/mol×K | [736.06; 975.10] | 
|
| Cp,gas | 508.51 | J/mol×K | 736.06 | Joback Calculated Property |
| Cp,gas | 523.81 | J/mol×K | 775.90 | Joback Calculated Property |
| Cp,gas | 538.00 | J/mol×K | 815.74 | Joback Calculated Property |
| Cp,gas | 551.08 | J/mol×K | 855.58 | Joback Calculated Property |
| Cp,gas | 563.07 | J/mol×K | 895.42 | Joback Calculated Property |
| Cp,gas | 573.97 | J/mol×K | 935.26 | Joback Calculated Property |
| Cp,gas | 583.79 | J/mol×K | 975.10 | Joback Calculated Property |
| ΔsubH | 105.00 | kJ/mol | 428.50 | NIST |
Similar Compounds
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Sources
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