- InChI
- InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
- InChI Key
- UAGJVSRUFNSIHR-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- COC(=O)CCC(C)=O
- Molecular Weight1
- 130.14
- CAS
- 624-45-3
- Other Names
-
- 4-Oxo-pentanoic acid methyl ester
- 4-Oxo-pentanoic acid methyl ester (methyl levulinate)
- Levulinic acid, methyl ester
- Methyl ester of 4-Oxopentanoic acid
- methyl 4-oxopentanoate
- methyl 4-oxovalerate
- methyl levulate
- methyl levulinate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4844 | Relay (1.0) Calculated Property | |
| ΔfG° | -363.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | [946.00; 1002.00] |
|
|
| Inp | 981.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 981.00 | NIST | |
| I | [1534.00; 1560.00] |
|
|
| I | 1560.00 | NIST | |
| I | 1534.00 | NIST | |
| I | 1534.00 | NIST | |
| I | 1560.00 | NIST | |
| Tboil | 469.20 | K | NIST |
| Tc | 627.30 | K | Relay (1.0) Calculated Property |
| Tfus | 255.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.00; 265.88] | J/mol×K | [466.84; 655.65] |
|
| Cp,gas | 215.00 | J/mol×K | 466.84 | Joback Calculated Property |
| Cp,gas | 224.34 | J/mol×K | 498.31 | Joback Calculated Property |
| Cp,gas | 233.35 | J/mol×K | 529.78 | Joback Calculated Property |
| Cp,gas | 242.00 | J/mol×K | 561.25 | Joback Calculated Property |
| Cp,gas | 250.31 | J/mol×K | 592.71 | Joback Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 265.88 | J/mol×K | 655.65 | Joback Calculated Property |
| η | [0.0003147; 0.0026736] | Pa×s | [279.47; 466.84] |
|
| η | 0.0026736 | Pa×s | 279.47 | Joback Calculated Property |
| η | 0.0015646 | Pa×s | 310.70 | Joback Calculated Property |
| η | 0.0010097 | Pa×s | 341.93 | Joback Calculated Property |
| η | 0.0007012 | Pa×s | 373.16 | Joback Calculated Property |
| η | 0.0005151 | Pa×s | 404.38 | Joback Calculated Property |
| η | 0.0003956 | Pa×s | 435.61 | Joback Calculated Property |
| η | 0.0003147 | Pa×s | 466.84 | Joback Calculated Property |
| ΔvapH | [50.40; 51.10] | kJ/mol | [391.50; 410.00] |
|
| ΔvapH | 50.40 | kJ/mol | 391.50 | NIST |
| ΔvapH | 51.10 | kJ/mol | 410.00 | NIST |
| Pvap | [0.03; 1.47] | kPa | [293.50; 353.20] |
|
| Pvap | 0.03 | kPa | 293.50 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.04 | kPa | 298.50 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.06 | kPa | 303.30 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.09 | kPa | 308.50 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.14 | kPa | 313.40 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.18 | kPa | 318.30 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.26 | kPa | 323.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.36 | kPa | 328.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.50 | kPa | 333.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.66 | kPa | 338.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 0.88 | kPa | 343.10 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 1.14 | kPa | 348.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| Pvap | 1.47 | kPa | 353.20 | Renewable platform chemicals: Thermochemical study of levulinic acid esters |
| ρl | 1045.40 | kg/m3 | 298.15 | Self-aggregation of liquids from biomass in aqueous solution |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 278.15 | 101.00 | 1065.229 |
| 280.65 | 101.00 | 1062.751 |
| 283.15 | 101.00 | 1060.272 |
| 285.65 | 101.00 | 1057.79 |
| 288.15 | 101.00 | 1055.311 |
| 290.65 | 101.00 | 1052.833 |
| 293.15 | 101.00 | 1050.353 |
| 295.65 | 101.00 | 1047.876 |
| 298.15 | 101.00 | 1045.396 |
| 300.65 | 101.00 | 1042.916 |
| 303.15 | 101.00 | 1040.435 |
| 305.65 | 101.00 | 1037.953 |
| 308.15 | 101.00 | 1035.47 |
| 310.65 | 101.00 | 1032.987 |
| 313.15 | 101.00 | 1030.502 |
| 315.65 | 101.00 | 1028.015 |
| 318.15 | 101.00 | 1025.528 |
| 320.65 | 101.00 | 1023.039 |
| 323.15 | 101.00 | 1020.547 |
| 325.65 | 101.00 | 1018.054 |
| 328.15 | 101.00 | 1015.557 |
| 330.65 | 101.00 | 1013.06 |
| 333.15 | 101.00 | 1010.561 |
| 335.65 | 101.00 | 1008.058 |
| 338.15 | 101.00 | 1005.552 |
| 283.15 | 100.00 | 1060.29 |
| 288.15 | 100.00 | 1055.31 |
| 293.15 | 100.00 | 1050.3 |
| 298.15 | 100.00 | 1045.38 |
| 303.15 | 100.00 | 1040.44 |
| 308.15 | 100.00 | 1035.54 |
| 313.15 | 100.00 | 1030.55 |
| 318.15 | 100.00 | 1025.58 |
| 323.15 | 100.00 | 1020.49 |
| 328.15 | 100.00 | 1015.61 |
| 333.15 | 100.00 | 1010.56 |
| 338.15 | 100.00 | 1005.52 |
| 283.15 | 2500.00 | 1062.16 |
| 288.15 | 2500.00 | 1057.25 |
| 293.15 | 2500.00 | 1052.33 |
| 298.15 | 2500.00 | 1047.36 |
| 303.15 | 2500.00 | 1042.52 |
| 308.15 | 2500.00 | 1037.62 |
| 313.15 | 2500.00 | 1032.72 |
| 318.15 | 2500.00 | 1027.81 |
| 323.15 | 2500.00 | 1022.88 |
| 328.15 | 2500.00 | 1017.91 |
| 333.15 | 2500.00 | 1012.95 |
| 338.15 | 2500.00 | 1007.98 |
| 283.15 | 5000.00 | 1063.68 |
| 288.15 | 5000.00 | 1058.78 |
| 293.15 | 5000.00 | 1053.92 |
| 298.15 | 5000.00 | 1049.14 |
| 303.15 | 5000.00 | 1044.34 |
| 308.15 | 5000.00 | 1039.43 |
| 313.15 | 5000.00 | 1034.49 |
| 318.15 | 5000.00 | 1029.63 |
| 323.15 | 5000.00 | 1024.69 |
| 328.15 | 5000.00 | 1019.85 |
| 333.15 | 5000.00 | 1014.89 |
| 338.15 | 5000.00 | 1009.95 |
| 283.15 | 7500.00 | 1065.19 |
| 288.15 | 7500.00 | 1060.35 |
| 293.15 | 7500.00 | 1055.56 |
| 298.15 | 7500.00 | 1050.79 |
| 303.15 | 7500.00 | 1045.93 |
| 308.15 | 7500.00 | 1041.06 |
| 313.15 | 7500.00 | 1036.23 |
| 318.15 | 7500.00 | 1031.41 |
| 323.15 | 7500.00 | 1026.57 |
| 328.15 | 7500.00 | 1021.73 |
| 333.15 | 7500.00 | 1016.89 |
| 338.15 | 7500.00 | 1012.01 |
| 283.15 | 10000.00 | 1066.72 |
| 288.15 | 10000.00 | 1061.84 |
| 293.15 | 10000.00 | 1057.05 |
| 298.15 | 10000.00 | 1052.35 |
| 303.15 | 10000.00 | 1047.54 |
| 308.15 | 10000.00 | 1042.78 |
| 313.15 | 10000.00 | 1037.95 |
| 318.15 | 10000.00 | 1033.21 |
| 323.15 | 10000.00 | 1028.34 |
| 328.15 | 10000.00 | 1023.55 |
| 333.15 | 10000.00 | 1018.69 |
| 338.15 | 10000.00 | 1013.94 |
| 283.15 | 20000.00 | 1072.35 |
| 288.15 | 20000.00 | 1067.71 |
| 293.15 | 20000.00 | 1063.03 |
| 298.15 | 20000.00 | 1058.57 |
| 303.15 | 20000.00 | 1053.84 |
| 308.15 | 20000.00 | 1049.29 |
| 313.15 | 20000.00 | 1044.5 |
| 318.15 | 20000.00 | 1039.93 |
| 323.15 | 20000.00 | 1035.2 |
| 328.15 | 20000.00 | 1030.73 |
| 333.15 | 20000.00 | 1025.95 |
| 338.15 | 20000.00 | 1021.4 |
| 283.15 | 30000.00 | 1077.77 |
| 288.15 | 30000.00 | 1073.2 |
| 293.15 | 30000.00 | 1068.66 |
| 298.15 | 30000.00 | 1064.4 |
| 303.15 | 30000.00 | 1059.68 |
| 308.15 | 30000.00 | 1055.2 |
| 313.15 | 30000.00 | 1050.69 |
| 318.15 | 30000.00 | 1046.25 |
| 323.15 | 30000.00 | 1041.67 |
| 328.15 | 30000.00 | 1037.3 |
| 333.15 | 30000.00 | 1032.71 |
| 338.15 | 30000.00 | 1028.29 |
| 283.15 | 40000.00 | 1082.9 |
| 288.15 | 40000.00 | 1078.45 |
| 293.15 | 40000.00 | 1073.99 |
| 298.15 | 40000.00 | 1069.98 |
| 303.15 | 40000.00 | 1065.23 |
| 308.15 | 40000.00 | 1060.99 |
| 313.15 | 40000.00 | 1056.5 |
| 318.15 | 40000.00 | 1052.2 |
| 323.15 | 40000.00 | 1047.68 |
| 328.15 | 40000.00 | 1043.5 |
| 333.15 | 40000.00 | 1039.01 |
| 338.15 | 40000.00 | 1034.77 |
| 283.15 | 50000.00 | 1087.68 |
| 288.15 | 50000.00 | 1083.39 |
| 293.15 | 50000.00 | 1079.05 |
| 298.15 | 50000.00 | 1075.16 |
| 303.15 | 50000.00 | 1070.58 |
| 308.15 | 50000.00 | 1066.36 |
| 313.15 | 50000.00 | 1061.97 |
| 318.15 | 50000.00 | 1057.79 |
| 323.15 | 50000.00 | 1053.46 |
| 328.15 | 50000.00 | 1049.36 |
| 333.15 | 50000.00 | 1044.91 |
| 338.15 | 50000.00 | 1040.88 |
| 283.15 | 60000.00 | 1092.28 |
| 288.15 | 60000.00 | 1088.19 |
| 293.15 | 60000.00 | 1083.84 |
| 298.15 | 60000.00 | 1079.87 |
| 303.15 | 60000.00 | 1075.6 |
| 308.15 | 60000.00 | 1071.57 |
| 313.15 | 60000.00 | 1067.19 |
| 318.15 | 60000.00 | 1063.14 |
| 323.15 | 60000.00 | 1058.87 |
| 328.15 | 60000.00 | 1054.88 |
| 333.15 | 60000.00 | 1050.58 |
| 338.15 | 60000.00 | 1046.63 |
| Reference | ||
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-, methyl ester.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermophysical study of methyl levulinate
- Self-aggregation of liquids from biomass in aqueous solution
- Renewable platform chemicals: Thermochemical study of levulinic acid esters
- Joback Method
- McGowan Method
- NIST Webbook
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