- InChI
- InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)
- InChI Key
- AJOQSQHYDOFIOX-UHFFFAOYSA-N
- Formula
- C11H14N2O2
- SMILES
- CCC(C(=O)NC(N)=O)c1ccccc1
- Molecular Weight1
- 206.24
- CAS
- 90-49-3
- Other Names
-
- Benzeneacetamide, N-(aminocarbonyl)-«alpha»-ethyl-
- Urea, (2-phenylbutyryl)-
- Benuride
- Ethylphenacemide
- 1-((Ethyl)phenylacetyl)urea
- Lircapyl
- M 551
- Phenuride
- N-(«alpha»-Phenylbutyryl)urea
- 2-Phenylbutyrylurea
- Phenylethylacetylurea
- Phenylethylacetyluree
- S 46
- EPA
- PBU
- 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).
- Inp : Non-polar retention indices.
- 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° | 49.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Inp | [1465.00; 1465.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Tboil | 707.76 | K | Joback Calculated Property |
| Tc | 937.06 | K | Joback Calculated Property |
| Tfus | 460.93 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.15; 507.82] | J/mol×K | [707.76; 937.06] |
|
| Cp,gas | 446.15 | J/mol×K | 707.76 | Joback Calculated Property |
| Cp,gas | 458.69 | J/mol×K | 745.98 | Joback Calculated Property |
| Cp,gas | 470.26 | J/mol×K | 784.19 | Joback Calculated Property |
| Cp,gas | 480.90 | J/mol×K | 822.41 | Joback Calculated Property |
| Cp,gas | 490.68 | J/mol×K | 860.62 | Joback Calculated Property |
| Cp,gas | 499.63 | J/mol×K | 898.84 | Joback Calculated Property |
| Cp,gas | 507.82 | J/mol×K | 937.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pheneturide.
Sources
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