- InChI
- InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)
- InChI Key
- BYPIURIATSUHDW-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CC(C)Cc1ccc(C(C)C(=O)NO)cc1
- Molecular Weight1
- 221.30
- 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° | -19.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Aq. Sol... | |
| logPoct/wat | 2.494 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Tboil | 723.84 | K | Joback Calculated Property |
| Tc | 925.16 | K | Joback Calculated Property |
| Tfus | 408.62 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [528.45; 595.49] | J/mol×K | [723.84; 925.16] | 
|
| Cp,gas | 528.45 | J/mol×K | 723.84 | Joback Calculated Property |
| Cp,gas | 541.55 | J/mol×K | 757.39 | Joback Calculated Property |
| Cp,gas | 553.84 | J/mol×K | 790.95 | Joback Calculated Property |
| Cp,gas | 565.34 | J/mol×K | 824.50 | Joback Calculated Property |
| Cp,gas | 576.09 | J/mol×K | 858.05 | Joback Calculated Property |
| Cp,gas | 586.13 | J/mol×K | 891.61 | Joback Calculated Property |
| Cp,gas | 595.49 | J/mol×K | 925.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ibuproxam.
Sources
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