- InChI
- InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3
- InChI Key
- FBGXENQFSMMBNY-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCC(=O)c1ccc(O)c(OC)c1
- Molecular Weight1
- 180.20
- Other Names
-
- Propioguaiacone
- 1-(4-hydroxy-3-methoxyphenyl)propanone (propiovanillone)
- 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (propiovanillone)
- 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)
- 1-(4-hydroxy-3-methoxyphenyl)propanone
- Propiophenone, 4'-hydroxy-3'-methoxy
- 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.
- I : 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° | -252.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1582.00] |
|
|
| Inp | 1582.00 | NIST | |
| Inp | 1582.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1521.00 | NIST | |
| I | [2677.00; 2719.00] |
|
|
| I | 2693.00 | NIST | |
| I | 2693.00 | NIST | |
| I | 2677.00 | NIST | |
| I | 2719.00 | NIST | |
| I | 2693.00 | NIST | |
| Tboil | 616.77 | K | Joback Calculated Property |
| Tc | 841.17 | K | Joback Calculated Property |
| Tfus | 425.28 | K | Joback Calculated Property |
| Vc | 0.477 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.42; 410.79] | J/mol×K | [616.77; 841.17] |
|
| Cp,gas | 349.42 | J/mol×K | 616.77 | Joback Calculated Property |
| Cp,gas | 361.30 | J/mol×K | 654.17 | Joback Calculated Property |
| Cp,gas | 372.44 | J/mol×K | 691.57 | Joback Calculated Property |
| Cp,gas | 382.91 | J/mol×K | 728.97 | Joback Calculated Property |
| Cp,gas | 392.75 | J/mol×K | 766.37 | Joback Calculated Property |
| Cp,gas | 402.02 | J/mol×K | 803.77 | Joback Calculated Property |
| Cp,gas | 410.79 | J/mol×K | 841.17 | Joback Calculated Property |
| η | [0.0000307; 0.0006184] | Pa×s | [425.28; 616.77] |
|
| η | 0.0006184 | Pa×s | 425.28 | Joback Calculated Property |
| η | 0.0003147 | Pa×s | 457.19 | Joback Calculated Property |
| η | 0.0001749 | Pa×s | 489.11 | Joback Calculated Property |
| η | 0.0001045 | Pa×s | 521.02 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 552.94 | Joback Calculated Property |
| η | 0.0000441 | Pa×s | 584.86 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 616.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propiovanillone.
Sources
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