- InChI
- InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
- InChI Key
- AXLMPTNTPOWPLT-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- C=CCOC(=O)CC(C)=O
- Molecular Weight1
- 142.15
- CAS
- 1118-84-9
- Other Names
-
- Acetoacetic acid, allyl ester
- Allyl acetoacetate
- Allyl acetylacetate
- 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).
- 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° | -266.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.41 | kJ/mol | Joback Calculated Property |
| log10WS | -0.75 | Crippen Calculated Property | |
| logPoct/wat | 0.695 | Crippen Calculated Property | |
| McVol | 114.200 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Tboil | 486.40 | K | Joback Calculated Property |
| Tc | 677.00 | K | Joback Calculated Property |
| Tfus | 288.98 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.50; 291.36] | J/mol×K | [486.40; 677.00] | 
|
| Cp,gas | 238.50 | J/mol×K | 486.40 | Joback Calculated Property |
| Cp,gas | 248.34 | J/mol×K | 518.17 | Joback Calculated Property |
| Cp,gas | 257.76 | J/mol×K | 549.93 | Joback Calculated Property |
| Cp,gas | 266.77 | J/mol×K | 581.70 | Joback Calculated Property |
| Cp,gas | 275.37 | J/mol×K | 613.47 | Joback Calculated Property |
| Cp,gas | 283.57 | J/mol×K | 645.24 | Joback Calculated Property |
| Cp,gas | 291.36 | J/mol×K | 677.00 | Joback Calculated Property |
| η | [0.0003016; 0.0025463] | Pa×s | [288.98; 486.40] |
|
| η | 0.0025463 | Pa×s | 288.98 | Joback Calculated Property |
| η | 0.0014879 | Pa×s | 321.88 | Joback Calculated Property |
| η | 0.0009605 | Pa×s | 354.79 | Joback Calculated Property |
| η | 0.0006679 | Pa×s | 387.69 | Joback Calculated Property |
| η | 0.0004916 | Pa×s | 420.59 | Joback Calculated Property |
| η | 0.0003783 | Pa×s | 453.50 | Joback Calculated Property |
| η | 0.0003016 | Pa×s | 486.40 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 467.70 | K | 98.30 | NIST |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-oxo-, 2-propenyl ester.
Sources
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