- InChI
- InChI=1S/C2H7N3O/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
- InChI Key
- LHYKTQVFLKHQSR-UHFFFAOYSA-N
- Formula
- C2H7N3O
- SMILES
- CNC(=O)NN
- Molecular Weight1
- 89.10
- CAS
- 17696-95-6
- 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).
- 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° | 82.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.30 | kJ/mol | Joback Calculated Property |
| log10WS | -0.22 | Crippen Calculated Property | |
| logPoct/wat | -1.211 | Crippen Calculated Property | |
| McVol | 70.550 | ml/mol | McGowan Calculated Property |
| Pc | 6259.01 | kPa | Joback Calculated Property |
| Tboil | 471.90 | K | Joback Calculated Property |
| Tc | 677.70 | K | Joback Calculated Property |
| Tfus | 350.81 | K | Joback Calculated Property |
| Vc | 0.253 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.54; 186.15] | J/mol×K | [471.90; 677.70] | 
|
| Cp,gas | 149.54 | J/mol×K | 471.90 | Joback Calculated Property |
| Cp,gas | 156.51 | J/mol×K | 506.20 | Joback Calculated Property |
| Cp,gas | 163.13 | J/mol×K | 540.50 | Joback Calculated Property |
| Cp,gas | 169.39 | J/mol×K | 574.80 | Joback Calculated Property |
| Cp,gas | 175.31 | J/mol×K | 609.10 | Joback Calculated Property |
| Cp,gas | 180.89 | J/mol×K | 643.40 | Joback Calculated Property |
| Cp,gas | 186.15 | J/mol×K | 677.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Semicarbazide, 4-methyl-.
Sources
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