- InChI
- InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3
- InChI Key
- BIOCOYIPJQMGTN-UHFFFAOYSA-N
- Formula
- C17H16O3
- SMILES
-
COC(=O)C(C)c1cccc(C(=O)c2ccccc
2)c1 - Molecular Weight1
- 268.31
- CAS
- 47087-07-0
- Other Names
-
- Ketoprofen methyl derivative
- Ketoprofen, methylated
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -57.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 211.880 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | 2090.00 | NIST | |
| Tboil | 776.42 | K | Joback Calculated Property |
| Tc | 1015.41 | K | Joback Calculated Property |
| Tfus | 453.80 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.17; 656.63] | J/mol×K | [776.42; 1015.41] | 
|
| Cp,gas | 587.17 | J/mol×K | 776.42 | Joback Calculated Property |
| Cp,gas | 601.73 | J/mol×K | 816.25 | Joback Calculated Property |
| Cp,gas | 615.02 | J/mol×K | 856.08 | Joback Calculated Property |
| Cp,gas | 627.11 | J/mol×K | 895.91 | Joback Calculated Property |
| Cp,gas | 638.03 | J/mol×K | 935.74 | Joback Calculated Property |
| Cp,gas | 647.86 | J/mol×K | 975.58 | Joback Calculated Property |
| Cp,gas | 656.63 | J/mol×K | 1015.41 | Joback Calculated Property |
| η | [0.0001003; 0.0010641] | Pa×s | [453.80; 776.42] |
|
| η | 0.0010641 | Pa×s | 453.80 | Joback Calculated Property |
| η | 0.0005828 | Pa×s | 507.57 | Joback Calculated Property |
| η | 0.0003582 | Pa×s | 561.34 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 615.11 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 668.88 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 722.65 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 776.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ketoprofen methyl ester.
Sources
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