- InChI
- InChI=1S/C10H11N3O/c11-7-4-8-12-10(14)13-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H2,12,13,14)
- InChI Key
- OAEZUJCBJHUAQW-UHFFFAOYSA-N
- Formula
- C10H11N3O
- SMILES
- N#CCCN=C(O)Nc1ccccc1
- Molecular Weight1
- 189.21
- CAS
- 22193-20-0
- ω : Acentric Factor.
- 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 | 0.8128 | Relay (1.0) Calculated Property | |
| ΔfG° | 258.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 12.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.926 | Crippen Calculated Property | |
| McVol | 150.910 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Tboil | 611.65 | K | Relay (1.0) Calculated Property |
| Tc | 928.38 | K | Relay (1.0) Calculated Property |
| Tfus | 433.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Urea, 1-(2-cyanoethyl)-3-phenyl-.
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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