- InChI
- InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
- InChI Key
- GMEONFUTDYJSNV-UHFFFAOYSA-N
- Formula
- C7H12O3
- SMILES
- CCOC(=O)CCC(C)=O
- Molecular Weight1
- 144.17
- CAS
- 539-88-8
- Other Names
-
- 4-Oxopentanoic acid ethyl ester
- Ethyl 3-acetylpropionate
- Ethyl 4-ketovalerate
- Ethyl 4-oxopentanoate
- Ethyl 4-oxovalerate
- Ethyl ketovalerate
- Ethyl laevulinate
- Ethyl levulate
- Ethyl levulinate
- Levulinic acid, ethyl ester
- NSC 24876
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- 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° | -354.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.08 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.919 | Crippen Calculated Property | |
| McVol | 118.500 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Inp | [1020.00; 1070.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | Outlier 1070.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1567.00; 1614.00] |
|
|
| I | 1607.00 | NIST | |
| I | 1610.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1602.00 | NIST | |
| I | Outlier 1567.00 | NIST | |
| I | 1601.00 | NIST | |
| I | 1607.00 | NIST | |
| Tboil | 479.00 | K | NIST |
| Tc | 676.50 | K | Joback Calculated Property |
| Tfus | 290.74 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.79; 312.87] | J/mol×K | [489.72; 676.50] |
|
| Cp,gas | 255.79 | J/mol×K | 489.72 | Joback Calculated Property |
| Cp,gas | 266.32 | J/mol×K | 520.85 | Joback Calculated Property |
| Cp,gas | 276.45 | J/mol×K | 551.98 | Joback Calculated Property |
| Cp,gas | 286.16 | J/mol×K | 583.11 | Joback Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 614.24 | Joback Calculated Property |
| Cp,gas | 304.37 | J/mol×K | 645.37 | Joback Calculated Property |
| Cp,gas | 312.87 | J/mol×K | 676.50 | Joback Calculated Property |
| η | [0.0002983; 0.0027292] | Pa×s | [290.74; 489.72] |
|
| η | 0.0027292 | Pa×s | 290.74 | Joback Calculated Property |
| η | 0.0015623 | Pa×s | 323.90 | Joback Calculated Property |
| η | 0.0009920 | Pa×s | 357.07 | Joback Calculated Property |
| η | 0.0006804 | Pa×s | 390.23 | Joback Calculated Property |
| η | 0.0004951 | Pa×s | 423.39 | Joback Calculated Property |
| η | 0.0003773 | Pa×s | 456.56 | Joback Calculated Property |
| η | 0.0002983 | Pa×s | 489.72 | Joback Calculated Property |
| ΔvapH | [51.60; 58.30] | kJ/mol | [400.00; 420.00] |
|
| ΔvapH | 58.30 | kJ/mol | 400.00 | NIST |
| ΔvapH | 51.60 | kJ/mol | 420.00 | NIST |
| Pvap | [0.02; 0.76] | kPa | [293.50; 348.80] |
|
| Pvap | 0.02 | kPa | 293.50 | Renewab... |
| Pvap | 0.03 | kPa | 298.40 | Renewab... |
| Pvap | 0.04 | kPa | 303.30 | Renewab... |
| Pvap | 0.05 | kPa | 308.30 | Renewab... |
| Pvap | 0.08 | kPa | 313.30 | Renewab... |
| Pvap | 0.11 | kPa | 318.30 | Renewab... |
| Pvap | 0.16 | kPa | 323.30 | Renewab... |
| Pvap | 0.23 | kPa | 328.20 | Renewab... |
| Pvap | 0.31 | kPa | 333.10 | Renewab... |
| Pvap | 0.41 | kPa | 338.10 | Renewab... |
| Pvap | 0.55 | kPa | 343.10 | Renewab... |
| Pvap | 0.76 | kPa | 348.80 | Renewab... |
| ρl | [975.10; 1013.20] | kg/m3 | [293.15; 333.15] |
|
| ρl | 1013.20 | kg/m3 | 293.15 | Solubil... |
| ρl | 1007.54 | kg/m3 | 298.15 | Self-ag... |
| ρl | 1005.30 | kg/m3 | 303.15 | Solubil... |
| ρl | 994.90 | kg/m3 | 313.15 | Solubil... |
| ρl | 984.60 | kg/m3 | 323.15 | Solubil... |
| ρl | 975.10 | kg/m3 | 333.15 | Solubil... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 366.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [361.00; 507.50] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51235e+01 | |||
| Coefficient B | -4.24496e+03 | |||
| Coefficient C | -7.48680e+01 | |||
| Temperature range, min. | 361.00 | |||
| Temperature range, max. | 507.50 | |||
| Pvap | 1.33 | kPa | 361.00 | Calculated Property |
| Pvap | 2.96 | kPa | 377.28 | Calculated Property |
| Pvap | 6.07 | kPa | 393.56 | Calculated Property |
| Pvap | 11.60 | kPa | 409.83 | Calculated Property |
| Pvap | 20.86 | kPa | 426.11 | Calculated Property |
| Pvap | 35.63 | kPa | 442.39 | Calculated Property |
| Pvap | 58.16 | kPa | 458.67 | Calculated Property |
| Pvap | 91.21 | kPa | 474.94 | Calculated Property |
| Pvap | 138.10 | kPa | 491.22 | Calculated Property |
| Pvap | 202.67 | kPa | 507.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-, ethyl ester.
Mixtures
- Pentanoic acid, 4-oxo-, ethyl ester + Water
- Pentanoic acid, 4-oxo-, ethyl ester + Sulfur dioxide
- Carbon dioxide + Pentanoic acid, 4-oxo-, ethyl ester
- Pentanoic acid, 4-oxo- + Pentanoic acid, 4-oxo-, ethyl ester + Water
- Ethanol + Pentanoic acid, 4-oxo-, ethyl ester + Water
Sources
- Crippen Method
- Crippen Method
- Self-aggregation of liquids from biomass in aqueous solution
- Solubilities and thermodynamic properties of SO2 in five biobased solvents
- Renewable platform chemicals: Thermochemical study of levulinic acid esters
- Phase Equilibrium Measurements and Thermodynamic Modeling of the Systems (CO2 + Ethyl Levulinate) and (CO2 + Levulinic Acid)
- Phase Equilibria in Systems with Levulinic Acid and Ethyl Levulinate
- Solubilities of Carbon Dioxide in Five Bio-based Solvents
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.