- InChI
- InChI=1S/C11H16N2O3S/c1-2-3-9-12-11(14)13-17(15,16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
- InChI Key
- AFOGBLYPWJJVAL-UHFFFAOYSA-N
- Formula
- C11H16N2O3S
- SMILES
- CCCCNC(=O)NS(=O)(=O)c1ccccc1
- Molecular Weight1
- 256.33
- 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° | -264.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Aq. Sol... | |
| logPoct/wat | 1.475 | Crippen Calculated Property | |
| McVol | 191.710 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 679.75 | K | Joback Calculated Property |
| Tc | 884.07 | K | Joback Calculated Property |
| Tfus | 433.96 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.49; 575.67] | J/mol×K | [679.75; 884.07] | 
|
| Cp,gas | 507.49 | J/mol×K | 679.75 | Joback Calculated Property |
| Cp,gas | 521.20 | J/mol×K | 713.80 | Joback Calculated Property |
| Cp,gas | 533.95 | J/mol×K | 747.86 | Joback Calculated Property |
| Cp,gas | 545.74 | J/mol×K | 781.91 | Joback Calculated Property |
| Cp,gas | 556.61 | J/mol×K | 815.96 | Joback Calculated Property |
| Cp,gas | 566.58 | J/mol×K | 850.01 | Joback Calculated Property |
| Cp,gas | 575.67 | J/mol×K | 884.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to phenbutamide.
Sources
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