- InChI
- InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
- InChI Key
- MQBITTBZTXUIPN-UHFFFAOYSA-N
- Formula
- C5H12N2O
- SMILES
- CC(C)CNC(=N)O
- Molecular Weight1
- 116.16
- CAS
- 592-17-6
- 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).
- 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 | 0.7123 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.725 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4275.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 505.86 | K | Relay (1.0) Calculated Property |
| Tc | 682.55 | K | Relay (1.0) Calculated Property |
| Tfus | 385.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [45.27; 244.79] | J/mol×K | [100.12; 540.05] | 
|
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 45.27 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 244.79 | J/mol×K | 540.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-isobutylurea.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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