- InChI
- InChI=1S/C10H10O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3
- InChI Key
- YOJWSQBCJZWMIR-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- COc1ccc(C(=O)C(C)=O)cc1
- Molecular Weight1
- 178.18
- 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° | -226.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.467 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Inp | [1440.00; 1440.00] |
|
|
| Inp | 1440.00 | NIST | |
| Inp | 1440.00 | NIST | |
| Tboil | 590.02 | K | Joback Calculated Property |
| Tc | 811.87 | K | Joback Calculated Property |
| Tfus | 363.49 | K | Joback Calculated Property |
| Vc | 0.517 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.55; 377.23] | J/mol×K | [590.02; 811.87] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 310 320 330 340 350 360 370 380 600 700 800 | ||||
| Cp,gas | 315.55 | J/mol×K | 590.02 | Joback Calculated Property |
| Cp,gas | 327.63 | J/mol×K | 626.99 | Joback Calculated Property |
| Cp,gas | 338.98 | J/mol×K | 663.97 | Joback Calculated Property |
| Cp,gas | 349.60 | J/mol×K | 700.94 | Joback Calculated Property |
| Cp,gas | 359.51 | J/mol×K | 737.92 | Joback Calculated Property |
| Cp,gas | 368.72 | J/mol×K | 774.89 | Joback Calculated Property |
| Cp,gas | 377.23 | J/mol×K | 811.87 | Joback Calculated Property |
| η | [0.0002262; 0.0015944] | Pa×s | [363.49; 590.02] |
|
|
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 1.40e-3 1.60e-3 400 450 500 550 | ||||
| η | 0.0015944 | Pa×s | 363.49 | Joback Calculated Property |
| η | 0.0009880 | Pa×s | 401.25 | Joback Calculated Property |
| η | 0.0006648 | Pa×s | 439.00 | Joback Calculated Property |
| η | 0.0004763 | Pa×s | 476.75 | Joback Calculated Property |
| η | 0.0003583 | Pa×s | 514.51 | Joback Calculated Property |
| η | 0.0002803 | Pa×s | 552.26 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 590.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desamino-oxo-).
Sources
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