- InChI
- InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
- InChI Key
- JOOXCMJARBKPKM-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- CC(=O)CCC(=O)O
- Molecular Weight1
- 116.12
- CAS
- 123-76-2
- Other Names
-
- .beta.-acetylpropionic acid
- 3-Acetylpropionic acid
- 4-Ketovaleric acid
- 4-Oxo-pentanoic acid (levulinic acid)
- 4-Oxovaleric acid
- 4-oxopentanoic acid
- Acetopropionic acid
- Acetylpropionic acid
- LEVA
- Laevulic acid
- Laevulinic acid
- Levulic acid
- NSC 3716
- Propionic acid, 3-acetyl-
- USAF CZ-1
- Valeric acid, 4-oxo-
- Valeric acid, 4-oxo-(levulinic acid)
- levulinic acid
- «beta»-Acetylpropionic acid
- «gamma»-Ketovaleric acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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° | -403.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.89 | kJ/mol | Joback Calculated Property |
| log10WS | -0.29 | Crippen Calculated Property | |
| logPoct/wat | 0.440 | Crippen Calculated Property | |
| McVol | 90.320 | ml/mol | McGowan Calculated Property |
| Pc | 4565.38 | kPa | Joback Calculated Property |
| Inp | [1063.20; 1063.20] |
|
|
| Inp | 1063.20 | NIST | |
| Inp | 1063.20 | NIST | |
| I | [2312.00; 2340.00] |
|
|
| I | 2317.00 | NIST | |
| I | 2312.00 | NIST | |
| I | 2340.00 | NIST | |
| I | 2317.00 | NIST | |
| Tboil | [518.20; 518.70] | K |
|
| Tboil | 518.20 | K | Phase e... |
| Tboil | 518.70 | K | NIST |
| Tc | 695.98 | K | Joback Calculated Property |
| Tfus | [306.00; 310.00] | K |
|
| Tfus | 306.00 ± 2.00 | K | NIST |
| Tfus | 310.00 ± 1.00 | K | NIST |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.80; 232.95] | J/mol×K | [513.72; 695.98] |
|
| Cp,gas | 194.80 | J/mol×K | 513.72 | Joback Calculated Property |
| Cp,gas | 201.95 | J/mol×K | 544.10 | Joback Calculated Property |
| Cp,gas | 208.77 | J/mol×K | 574.47 | Joback Calculated Property |
| Cp,gas | 215.27 | J/mol×K | 604.85 | Joback Calculated Property |
| Cp,gas | 221.47 | J/mol×K | 635.23 | Joback Calculated Property |
| Cp,gas | 227.36 | J/mol×K | 665.60 | Joback Calculated Property |
| Cp,gas | 232.95 | J/mol×K | 695.98 | Joback Calculated Property |
| η | [0.0002045; 0.0104113] | Pa×s | [306.79; 513.72] |
|
| η | 0.0104113 | Pa×s | 306.79 | Joback Calculated Property |
| η | 0.0038842 | Pa×s | 341.28 | Joback Calculated Property |
| η | 0.0017366 | Pa×s | 375.77 | Joback Calculated Property |
| η | 0.0008890 | Pa×s | 410.25 | Joback Calculated Property |
| η | 0.0005049 | Pa×s | 444.74 | Joback Calculated Property |
| η | 0.0003110 | Pa×s | 479.23 | Joback Calculated Property |
| η | 0.0002045 | Pa×s | 513.72 | Joback Calculated Property |
| ΔfusH | [9.22; 9.22] | kJ/mol | [306.20; 306.20] |
|
| ΔfusH | 9.22 | kJ/mol | 306.20 | NIST |
| ΔfusH | 9.22 | kJ/mol | 306.20 | NIST |
| ΔvapH | [70.32; 74.40] | kJ/mol | [298.15; 447.00] |
|
| ΔvapH | 70.32 | kJ/mol | 298.15 | Renewab... |
| ΔvapH | 74.40 | kJ/mol | 447.00 | NIST |
| n0 | 1.43950 | 293.15 | Phase e... | |
| ρl | 1135.71 | kg/m3 | 298.15 | Extract... |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-.
Mixtures
- Pentanoic acid, 4-oxo- + 1-Butanol, 3-methyl- + Water
- Pentanoic acid, 4-oxo- + 1-Hexanol + Water
- Pentanoic acid, 4-oxo- + 1-Decanol + Water
- Pentanoic acid, 4-oxo- + Butanedioic acid, dimethyl ester + Water
- Pentanoic acid, 4-oxo- + Pentanedioic acid, dimethyl ester + Water
- Pentanoic acid, 4-oxo- + Hexanedioic acid, dimethyl ester + Water
- Pentanoic acid, 4-oxo- + Choline chloride
- Pentanoic acid, 4-oxo- + Choline chloride + Ethanol
- 1-Propanol + Pentanoic acid, 4-oxo- + Choline chloride
- Pentanoic acid, 4-oxo- + Choline chloride + 1-Butanol
- Pentanoic acid, 4-oxo- + Choline chloride + 1-Pentanol
- Pentanoic acid, 4-oxo- + Tetraethylammonium bromide
- Tetra-N-butylammonium chloride + Pentanoic acid, 4-oxo-
- Pentanoic acid, 4-oxo- + Tetra-N-butylammonium bromide
- Pentanoic acid, 4-oxo- + Carbon dioxide + Tetraethylammonium bromide
- Tetra-N-butylammonium chloride + Pentanoic acid, 4-oxo- + Carbon dioxide
- Pentanoic acid, 4-oxo- + Carbon dioxide + Tetra-N-butylammonium bromide
- Proline + Pentanoic acid, 4-oxo-
- Betaine + Pentanoic acid, 4-oxo-
- Pentanoic acid, 4-oxo- + Dodecane + Water
Find more mixtures with Pentanoic acid, 4-oxo-.
Sources
- Crippen Method
- Crippen Method
- Liquid-liquid equilibria for ternary systems of (water + carboxylic acid + 1-octanol) at 293.15 K: modeling phase equilibria using a solvatochromic approach
- Phase equilibria of (water + levunilic acid + alcohol) ternary systems
- Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems
- Liquid-liquid equilibria of n-heptane, methanol and deep eutectic solvents composed of carboxylic acid and monocyclic terpenes
- Phase equilibria for ternary liquid systems of (water + levulinic acid + cyclic solvent) at T = 298.2 K: Thermodynamic modeling
- Renewable platform-chemicals and materials: Thermochemical study of levulinic acid
- Investigation of solubilities of carbon dioxide in five levulinic acid-based deep eutectic solvents and their thermodynamic properties
- Liquid-liquid equilibria for the aqueous mixture of C5 carboxylic acids and heavier than water solvents at T = 298.2 K
- Physical properties of seven deep eutectic solvents based on L-proline or betaine
- Renewable platform chemicals: Thermochemical study of levulinic acid esters
- Equilibrium Study on the Extraction of Levulinic Acid from Aqueous Solution with Aliquat 336 Dissolved in Different Diluents: Solvent s Polarity Effect and Column Design
- Physical Properties of the Pure Deep Eutectic Solvent, [ChCl]:[Lev] (1:2) DES, and Its Binary Mixtures with Alcohols
- Thermophysical Properties and Solubility of Different Sugar-Derived Molecules in Deep Eutectic Solvents
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- Phase Equilibrium Measurements and Thermodynamic Modeling of the Systems (CO2 + Ethyl Levulinate) and (CO2 + Levulinic Acid)
- Extraction of Carboxylic Acids from Aqueous Solutions by Using [BMim][NTf2] and Salting-out Agents
- Phase Equilibria in Systems with Levulinic Acid and Ethyl Levulinate
- Levulinic Acid Solubility in Supercritical Carbon Dioxide with and without Ethanol as Cosolvent at Different Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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