- InChI
- InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3
- InChI Key
- XVTCWUFLNLZPEJ-UHFFFAOYSA-N
- Formula
- C11H12O2
- SMILES
- C=CCc1cc(C(C)=O)ccc1O
- Molecular Weight1
- 176.21
- CAS
- 1132-05-4
- Other Names
-
- Ethanone, 1-(4-hydroxy-3-(2-propenyl)phenyl)-
- 3'-Allyl-4'-hydroxyacetophenone
- 3-Allyl-4-hydroxy-acetophenon
- 3-Allyl-4-hydroxy-acetophenone
- 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).
- 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° | -51.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.323 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 613.91 | K | Joback Calculated Property |
| Tc | 841.77 | K | Joback Calculated Property |
| Tfus | 412.56 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.40; 414.58] | J/mol×K | [613.91; 841.77] | 
|
| Cp,gas | 352.40 | J/mol×K | 613.91 | Joback Calculated Property |
| Cp,gas | 364.55 | J/mol×K | 651.89 | Joback Calculated Property |
| Cp,gas | 375.87 | J/mol×K | 689.86 | Joback Calculated Property |
| Cp,gas | 386.45 | J/mol×K | 727.84 | Joback Calculated Property |
| Cp,gas | 396.37 | J/mol×K | 765.82 | Joback Calculated Property |
| Cp,gas | 405.71 | J/mol×K | 803.79 | Joback Calculated Property |
| Cp,gas | 414.58 | J/mol×K | 841.77 | Joback Calculated Property |
| η | [0.0000367; 0.0008992] | Pa×s | [412.56; 613.91] |
|
| η | 0.0008992 | Pa×s | 412.56 | Joback Calculated Property |
| η | 0.0004319 | Pa×s | 446.12 | Joback Calculated Property |
| η | 0.0002298 | Pa×s | 479.68 | Joback Calculated Property |
| η | 0.0001328 | Pa×s | 513.24 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 546.79 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 580.35 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 613.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetophenone, 3'-allyl-4'-hydroxy-.
Sources
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