- InChI
- InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
- InChI Key
- VSNHCAURESNICA-UHFFFAOYSA-N
- Formula
- CH4N2O2
- SMILES
- NC(=O)NO
- Molecular Weight1
- 76.05
- 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 | 0.6843 | Relay (1.0) Calculated Property | |
| ΔfG° | -152.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.12 | Aq. Solubility Prediction | |
| logPoct/wat | -0.956 | Crippen Calculated Property | |
| McVol | 52.350 | ml/mol | McGowan Calculated Property |
| Pc | 8432.26 | kPa | Joback Calculated Property |
| Tboil | 472.39 | K | Relay (1.0) Calculated Property |
| Tc | 761.35 | K | Relay (1.0) Calculated Property |
| Tfus | 415.65 | K | Aq. Solubility Prediction |
| Vc | 0.203 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.52; 130.68] | J/mol×K | [491.03; 685.25] | 
|
| Cp,gas | 109.52 | J/mol×K | 491.03 | Joback Calculated Property |
| Cp,gas | 113.54 | J/mol×K | 523.40 | Joback Calculated Property |
| Cp,gas | 117.37 | J/mol×K | 555.77 | Joback Calculated Property |
| Cp,gas | 120.98 | J/mol×K | 588.14 | Joback Calculated Property |
| Cp,gas | 124.41 | J/mol×K | 620.51 | Joback Calculated Property |
| Cp,gas | 127.64 | J/mol×K | 652.88 | Joback Calculated Property |
| Cp,gas | 130.68 | J/mol×K | 685.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hydroxyurea.
Sources
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