- InChI
- InChI=1S/C4H9N3O2/c1-5-3(8)7-4(9)6-2/h1-2H3,(H3,5,6,7,8,9)
- InChI Key
- BEVVHEBDWYSLRT-UHFFFAOYSA-N
- Formula
- C4H9N3O2
- SMILES
- CNC(=O)NC(=O)NC
- Molecular Weight1
- 131.13
- CAS
- 16791-94-9
- 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° | -6.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.30 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | -0.745 | Crippen Calculated Property | |
| McVol | 100.300 | ml/mol | McGowan Calculated Property |
| Pc | 4842.69 | kPa | Joback Calculated Property |
| Tboil | 549.17 | K | Joback Calculated Property |
| Tc | 749.39 | K | Joback Calculated Property |
| Tfus | 392.68 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.03; 278.59] | J/mol×K | [549.17; 749.39] | 
|
| Cp,gas | 233.03 | J/mol×K | 549.17 | Joback Calculated Property |
| Cp,gas | 241.78 | J/mol×K | 582.54 | Joback Calculated Property |
| Cp,gas | 250.06 | J/mol×K | 615.91 | Joback Calculated Property |
| Cp,gas | 257.87 | J/mol×K | 649.28 | Joback Calculated Property |
| Cp,gas | 265.21 | J/mol×K | 682.65 | Joback Calculated Property |
| Cp,gas | 272.12 | J/mol×K | 716.02 | Joback Calculated Property |
| Cp,gas | 278.59 | J/mol×K | 749.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Dimethylbiuret.
Sources
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