- InChI
- InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
- InChI Key
- WDAXFOBOLVPGLV-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCOC(=O)C(C)C
- Molecular Weight1
- 116.16
- CAS
- 97-62-1
- Other Names
-
- 2-Methylpropanoic acid ethyl ester
- ETHYL ESTER ISOBUTYRIC ACID
- Ethyl 2,2-dimethylacetate
- Ethyl 2-methylpropionate
- Ethyl ester of 2-methyl-propanoic acid
- Ethyl isobutanoate
- Ethyl methylpropanoate
- Ethyl-2-methylproanoate
- NSC 97194
- Propionic acid, 2-methyl-, ethyl ester
- UN 2385
- ethyl 2-methylpropanoate
- ethyl isobutyrate
- isobutyric acid, ethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- ρc : Critical density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4310 | KDB | |
| μ | 2.10 | debye | KDB |
| ΔfG° | -313.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.60; 39.88] | kJ/mol |
|
| ΔvapH° | 39.88 | kJ/mol | NIST |
| ΔvapH° | 39.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 39.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 35.60 ± 0.04 | kJ/mol | NIST |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.206 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | [3053.00; 3070.00] | kPa |
|
| Pc | 3070.00 | kPa | KDB |
| Pc | 3053.00 ± 202.65 | kPa | NIST |
| ρc | 276.46 ± 8.13 | kg/m3 | NIST |
| Inp | [721.00; 779.00] |
|
|
| Inp | 744.60 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | Outlier 723.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 762.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | Outlier 726.00 | NIST | |
| Inp | 755.70 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | Outlier 779.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | Outlier 776.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 766.00 | NIST | |
| Inp | Outlier 779.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 760.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 730.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | Outlier 775.00 | NIST | |
| Inp | Outlier 727.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | Outlier 721.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 746.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | Outlier 721.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 744.60 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 750.00 | NIST | |
| I | [929.00; 1007.00] |
|
|
| I | 961.00 | NIST | |
| I | 977.00 | NIST | |
| I | 975.00 | NIST | |
| I | Outlier 931.00 | NIST | |
| I | Outlier 934.00 | NIST | |
| I | 971.00 | NIST | |
| I | 965.00 | NIST | |
| I | 959.00 | NIST | |
| I | 960.00 | NIST | |
| I | 965.00 | NIST | |
| I | 962.00 | NIST | |
| I | 971.00 | NIST | |
| I | 961.00 | NIST | |
| I | 957.00 | NIST | |
| I | 967.00 | NIST | |
| I | 955.00 | NIST | |
| I | Outlier 930.00 | NIST | |
| I | 968.80 | NIST | |
| I | 950.00 | NIST | |
| I | 962.00 | NIST | |
| I | 960.00 | NIST | |
| I | 969.00 | NIST | |
| I | 962.00 | NIST | |
| I | Outlier 1007.00 | NIST | |
| I | 944.00 | NIST | |
| I | 965.00 | NIST | |
| I | 966.00 | NIST | |
| I | 955.00 | NIST | |
| I | 965.00 | NIST | |
| I | 972.00 | NIST | |
| I | 955.00 | NIST | |
| I | 957.00 | NIST | |
| I | 958.00 | NIST | |
| I | 964.00 | NIST | |
| I | 955.00 | NIST | |
| I | 964.00 | NIST | |
| I | 974.00 | NIST | |
| I | 952.00 | NIST | |
| I | 963.00 | NIST | |
| I | 962.00 | NIST | |
| I | 961.00 | NIST | |
| I | 965.00 | NIST | |
| I | 961.00 | NIST | |
| I | 961.00 | NIST | |
| I | 962.00 | NIST | |
| I | Outlier 1004.00 | NIST | |
| I | 962.00 | NIST | |
| I | 972.00 | NIST | |
| I | 955.00 | NIST | |
| I | 963.00 | NIST | |
| I | 964.00 | NIST | |
| I | 975.00 | NIST | |
| I | 961.00 | NIST | |
| I | 965.00 | NIST | |
| I | 957.00 | NIST | |
| I | 965.00 | NIST | |
| I | 965.00 | NIST | |
| I | 954.00 | NIST | |
| I | Outlier 929.00 | NIST | |
| I | 955.00 | NIST | |
| I | 984.00 | NIST | |
| I | 955.00 | NIST | |
| I | 955.00 | NIST | |
| I | 984.00 | NIST | |
| I | 956.00 | NIST | |
| I | 962.00 | NIST | |
| I | 966.00 | NIST | |
| I | 956.00 | NIST | |
| I | 968.00 | NIST | |
| I | 956.00 | NIST | |
| I | 968.00 | NIST | |
| I | 956.00 | NIST | |
| I | 968.00 | NIST | |
| I | 956.00 | NIST | |
| I | 968.00 | NIST | |
| I | Outlier 935.00 | NIST | |
| I | 955.00 | NIST | |
| I | 960.00 | NIST | |
| I | Outlier 937.00 | NIST | |
| I | 960.00 | NIST | |
| I | 969.00 | NIST | |
| I | 972.00 | NIST | |
| I | 959.00 | NIST | |
| I | 973.00 | NIST | |
| I | 955.00 | NIST | |
| I | 969.00 | NIST | |
| I | 975.00 | NIST | |
| I | 956.00 | NIST | |
| I | 960.00 | NIST | |
| I | Outlier 990.00 | NIST | |
| I | 955.00 | NIST | |
| I | 961.00 | NIST | |
| I | 950.00 | NIST | |
| I | 950.00 | NIST | |
| I | 958.00 | NIST | |
| I | 950.00 | NIST | |
| I | 963.00 | NIST | |
| I | 962.00 | NIST | |
| I | 957.00 | NIST | |
| I | 955.00 | NIST | |
| I | 956.00 | NIST | |
| I | 968.00 | NIST | |
| I | 944.00 | NIST | |
| I | 972.00 | NIST | |
| Tboil | [382.95; 422.15] | K |
|
| Tboil | 383.20 | K | KDB |
| Tboil | 385.70 | K | NIST |
| Tboil | 384.20 | K | NIST |
| Tboil | 383.30 | K | NIST |
| Tboil | 383.40 ± 1.00 | K | NIST |
| Tboil | 383.65 ± 1.00 | K | NIST |
| Tboil | 383.25 ± 1.00 | K | NIST |
| Tboil | 383.30 ± 0.50 | K | NIST |
| Tboil | 383.25 ± 1.00 | K | NIST |
| Tboil | 384.20 ± 0.30 | K | NIST |
| Tboil | 383.35 ± 1.00 | K | NIST |
| Tboil | 383.00 ± 1.00 | K | NIST |
| Tboil | 382.95 ± 1.00 | K | NIST |
| Tboil | 383.45 ± 1.00 | K | NIST |
| Tboil | 383.10 ± 1.50 | K | NIST |
| Tboil | Outlier 422.15 ± 1.00 | K | NIST |
| Tboil | 383.15 ± 1.00 | K | NIST |
| Tc | [553.00; 553.60] | K |
|
| Tc | 553.00 | K | KDB |
| Tc | 553.60 ± 4.00 | K | NIST |
| Tfus | [175.40; 184.90] | K |
|
| Tfus | 184.90 | K | KDB |
| Tfus | 175.40 ± 0.30 | K | NIST |
| Vc | 0.421 | m3/kmol | KDB |
| Zc | 0.2810990 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.67; 44.10] | kJ/mol | [321.00; 433.00] |
|
| ΔvapH | 44.10 | kJ/mol | 321.00 | NIST |
| ΔvapH | 33.67 | kJ/mol | 383.30 | NIST |
| ΔvapH | 36.00 | kJ/mol | 433.00 | NIST |
| ρl | [836.05; 869.00] | kg/m3 | [293.00; 323.15] |
|
| ρl | 869.00 | kg/m3 | 293.00 | KDB |
| ρl | 857.92 | kg/m3 | 303.15 | Vapor-liquid equilibrium and excess properties of the binary mixtures formed by ethyl isobutyrate and n-alkanols |
| ρl | 836.05 | kg/m3 | 323.15 | Vapor-liquid equilibrium and excess properties of the binary mixtures formed by ethyl isobutyrate and n-alkanols |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.79; 337.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.11610e+01 | |||
| Coefficient B | 5.24960e-01 | |||
| Coefficient C | -2.11200e-04 | |||
| Coefficient D | 2.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 280.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 327.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 337.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0129132; 0.0002698] | Pa×s | [180.15; 387.31] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15820e+01 | |||
| Coefficient B | 1.30294e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 180.15 | |||
| Temperature range, max. | 387.31 | |||
| η | 0.0129132 | Pa×s | 180.15 | Calculated Property |
| η | 0.0056908 | Pa×s | 203.17 | Calculated Property |
| η | 0.0029630 | Pa×s | 226.19 | Calculated Property |
| η | 0.0017405 | Pa×s | 249.20 | Calculated Property |
| η | 0.0011186 | Pa×s | 272.22 | Calculated Property |
| η | 0.0007702 | Pa×s | 295.24 | Calculated Property |
| η | 0.0005597 | Pa×s | 318.26 | Calculated Property |
| η | 0.0004247 | Pa×s | 341.27 | Calculated Property |
| η | 0.0003337 | Pa×s | 364.29 | Calculated Property |
| η | 0.0002698 | Pa×s | 387.31 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [283.40; 407.85] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48292e+01 | |||
| Coefficient B | -3.42855e+03 | |||
| Coefficient C | -4.76240e+01 | |||
| Temperature range, min. | 283.40 | |||
| Temperature range, max. | 407.85 | |||
| Pvap | 1.33 | kPa | 283.40 | Calculated Property |
| Pvap | 2.98 | kPa | 297.23 | Calculated Property |
| Pvap | 6.14 | kPa | 311.06 | Calculated Property |
| Pvap | 11.74 | kPa | 324.88 | Calculated Property |
| Pvap | 21.13 | kPa | 338.71 | Calculated Property |
| Pvap | 36.05 | kPa | 352.54 | Calculated Property |
| Pvap | 58.71 | kPa | 366.37 | Calculated Property |
| Pvap | 91.83 | kPa | 380.19 | Calculated Property |
| Pvap | 138.58 | kPa | 394.02 | Calculated Property |
| Pvap | 202.63 | kPa | 407.85 | Calculated Property |
| Pvap | [1.13e-04; 2946.54] | kPa | [185.00; 553.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.61664e+01 | |||
| Coefficient B | -5.99692e+03 | |||
| Coefficient C | -4.38282e+00 | |||
| Coefficient D | 1.12312e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 185.00 | |||
| Temperature range, max. | 553.15 | |||
| Pvap | 1.13e-04 | kPa | 185.00 | Calculated Property |
| Pvap | 0.02 | kPa | 225.91 | Calculated Property |
| Pvap | 0.49 | kPa | 266.81 | Calculated Property |
| Pvap | 5.34 | kPa | 307.72 | Calculated Property |
| Pvap | 31.32 | kPa | 348.62 | Calculated Property |
| Pvap | 121.29 | kPa | 389.53 | Calculated Property |
| Pvap | 351.18 | kPa | 430.43 | Calculated Property |
| Pvap | 823.84 | kPa | 471.34 | Calculated Property |
| Pvap | 1653.11 | kPa | 512.24 | Calculated Property |
| Pvap | 2946.54 | kPa | 553.15 | Calculated Property |
| Pvap | [0.13; 100.52] | kPa | [248.90; 383.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49254e+01 | |||
| Coefficient B | -3.53904e+03 | |||
| Coefficient C | -3.99040e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 248.90 | |||
| Temperature range, max. | 383.00 | |||
| Pvap | 0.13 | kPa | 248.90 | Calculated Property |
| Pvap | 0.41 | kPa | 263.80 | Calculated Property |
| Pvap | 1.11 | kPa | 278.70 | Calculated Property |
| Pvap | 2.65 | kPa | 293.60 | Calculated Property |
| Pvap | 5.75 | kPa | 308.50 | Calculated Property |
| Pvap | 11.49 | kPa | 323.40 | Calculated Property |
| Pvap | 21.44 | kPa | 338.30 | Calculated Property |
| Pvap | 37.68 | kPa | 353.20 | Calculated Property |
| Pvap | 62.93 | kPa | 368.10 | Calculated Property |
| Pvap | 100.52 | kPa | 383.00 | Calculated Property |
| Pvap | [101.34; 3010.22] | kPa | [383.30; 553.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51280e+01 | |||
| Coefficient B | -3.74343e+03 | |||
| Coefficient C | -2.71050e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 383.30 | |||
| Temperature range, max. | 553.00 | |||
| Pvap | 101.34 | kPa | 383.30 | Calculated Property |
| Pvap | 171.89 | kPa | 402.16 | Calculated Property |
| Pvap | 277.17 | kPa | 421.01 | Calculated Property |
| Pvap | 427.84 | kPa | 439.87 | Calculated Property |
| Pvap | 635.84 | kPa | 458.72 | Calculated Property |
| Pvap | 914.13 | kPa | 477.58 | Calculated Property |
| Pvap | 1276.44 | kPa | 496.43 | Calculated Property |
| Pvap | 1736.98 | kPa | 515.29 | Calculated Property |
| Pvap | 2310.13 | kPa | 534.14 | Calculated Property |
| Pvap | 3010.22 | kPa | 553.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, ethyl ester.
Mixtures
- Propanoic acid, 2-methyl-, ethyl ester + Methyl Alcohol
- Ethanol + Propanoic acid, 2-methyl-, ethyl ester
- 1-Propanol + Propanoic acid, 2-methyl-, ethyl ester
- 1-Butanol + Propanoic acid, 2-methyl-, ethyl ester
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor-liquid equilibrium and excess properties of the binary mixtures formed by ethyl isobutyrate and n-alkanols
- Joback Method
- KDB
- 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.
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