- InChI
- InChI=1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3
- InChI Key
- GVUMZPWBUAGJBP-UHFFFAOYSA-N
- Formula
- C9H8O3
- SMILES
- CC(=O)Oc1cccc(C=O)c1
- Molecular Weight1
- 164.16
- CAS
- 34231-78-2
- Other Names
-
- Benzaldehyde, 3-(acetyloxy)-
- 3-formylphenyl acetate
- 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° | -205.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Tboil | 561.93 | K | Joback Calculated Property |
| Tc | 782.61 | K | Joback Calculated Property |
| Tfus | 344.29 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.43; 326.87] | J/mol×K | [561.93; 782.61] | 
|
| Cp,gas | 271.43 | J/mol×K | 561.93 | Joback Calculated Property |
| Cp,gas | 282.25 | J/mol×K | 598.71 | Joback Calculated Property |
| Cp,gas | 292.43 | J/mol×K | 635.49 | Joback Calculated Property |
| Cp,gas | 301.97 | J/mol×K | 672.27 | Joback Calculated Property |
| Cp,gas | 310.88 | J/mol×K | 709.05 | Joback Calculated Property |
| Cp,gas | 319.18 | J/mol×K | 745.83 | Joback Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 782.61 | Joback Calculated Property |
| η | [0.0002676; 0.0018131] | Pa×s | [344.29; 561.93] |
|
| η | 0.0018131 | Pa×s | 344.29 | Joback Calculated Property |
| η | 0.0011322 | Pa×s | 380.56 | Joback Calculated Property |
| η | 0.0007674 | Pa×s | 416.84 | Joback Calculated Property |
| η | 0.0005535 | Pa×s | 453.11 | Joback Calculated Property |
| η | 0.0004191 | Pa×s | 489.38 | Joback Calculated Property |
| η | 0.0003297 | Pa×s | 525.66 | Joback Calculated Property |
| η | 0.0002676 | Pa×s | 561.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Acetoxybenzaldehyde.
Sources
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