- InChI
- InChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3
- InChI Key
- FXPPNKAYSGWCQG-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- CC(=O)OC(C)C=O
- Molecular Weight1
- 116.12
- CAS
- 22094-23-1
- Other Names
-
- 1-formylethyl acetate
- Propanal, 2-(acetyloxy)-
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -344.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.21 | kJ/mol | Joback Calculated Property |
| log10WS | -0.17 | Crippen Calculated Property | |
| logPoct/wat | 0.137 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Pc | 4056.96 | kPa | Joback Calculated Property |
| I | 1355.00 | NIST | |
| Tboil | 438.31 | K | Joback Calculated Property |
| Tc | 628.27 | K | Joback Calculated Property |
| Tfus | 245.27 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.67; 222.38] | J/mol×K | [438.31; 628.27] | 
|
| Cp,gas | 178.67 | J/mol×K | 438.31 | Joback Calculated Property |
| Cp,gas | 186.67 | J/mol×K | 469.97 | Joback Calculated Property |
| Cp,gas | 194.39 | J/mol×K | 501.63 | Joback Calculated Property |
| Cp,gas | 201.82 | J/mol×K | 533.29 | Joback Calculated Property |
| Cp,gas | 208.97 | J/mol×K | 564.95 | Joback Calculated Property |
| Cp,gas | 215.82 | J/mol×K | 596.61 | Joback Calculated Property |
| Cp,gas | 222.38 | J/mol×K | 628.27 | Joback Calculated Property |
| η | [0.0003358; 0.0040015] | Pa×s | [245.27; 438.31] |
|
| η | 0.0040015 | Pa×s | 245.27 | Joback Calculated Property |
| η | 0.0020839 | Pa×s | 277.44 | Joback Calculated Property |
| η | 0.0012428 | Pa×s | 309.62 | Joback Calculated Property |
| η | 0.0008170 | Pa×s | 341.79 | Joback Calculated Property |
| η | 0.0005772 | Pa×s | 373.96 | Joback Calculated Property |
| η | 0.0004309 | Pa×s | 406.14 | Joback Calculated Property |
| η | 0.0003358 | Pa×s | 438.31 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 326.50 ± 1.50 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2-acetoxypropanal.
Sources
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