- InChI
- InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
- InChI Key
- KQNPFQTWMSNSAP-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- CC(C)C(=O)O
- Molecular Weight1
- 88.11
- CAS
- 79-31-2
- Other Names
-
- .alpha.-methylpropionic acid
- 2-METHYL-PROPANOIC ACID
- 2-Methylpropanoic acid
- 2-Methylpropionic acid
- 2-Propanecarboxylic acid
- ALPHA-METHYLPROPIONIC ACID
- Acetic acid, dimethyl-
- Cenex RP b2
- Dimethylacetic acid
- Isobutanoic acid
- Isobutyric acid
- Isopropylformic acid
- Kyselina isomaselna
- Methylpropanoic acid
- Methylpropionic acid
- NSC 62780
- Propionic acid, 2-methyl-
- Tenox IBP 2
- UN 2529
- i-Butyric acid
- iso-C3H7COOH
- «alpha»-Methylpropanoic acid
- «alpha»-Methylpropionic acid
- «alpha»-Methylpropanoic acid
- «alpha»-Methylpropionic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- csound,fluid : Speed of sound in fluid (m/s).
- 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 | 0.6230 | KDB | |
| μ | 1.30 | debye | KDB |
| ΔfG° | -285.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.20 | kJ/mol | KDB |
| ΔfusH° | 8.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.00; 56.30] | kJ/mol |
|
| ΔvapH° | 56.30 | kJ/mol | NIST |
| ΔvapH° | 55.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 53.00 | kJ/mol | NIST |
| ΔvapH° | 53.40 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 53.00 ± 4.00 | kJ/mol | NIST |
| IE | [10.02; 10.33] | eV |
|
| IE | 10.24 ± 0.12 | eV | NIST |
| IE | 10.12 | eV | NIST |
| IE | 10.33 ± 0.01 | eV | NIST |
| IE | 10.33 | eV | NIST |
| IE | 10.33 ± 0.03 | eV | NIST |
| IE | 10.02 ± 0.05 | eV | NIST |
| IE | 10.30 | eV | NIST |
| log10WS | 0.28 | Aq. Sol... | |
| logPoct/wat | 0.727 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | [3700.00; 3700.00] | kPa |
|
| Pc | 3700.00 | kPa | KDB |
| Pc | 3700.00 ± 25.00 | kPa | NIST |
| Inp | [723.00; 803.90] |
|
|
| Inp | 792.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 803.90 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 753.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 765.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 753.00 | NIST | |
| I | [1520.00; 1618.00] |
|
|
| I | 1574.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1539.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1585.00 | NIST | |
| I | Outlier 1520.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1555.00 | NIST | |
| I | Outlier 1520.00 | NIST | |
| I | 1547.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1573.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1564.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1567.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1584.00 | NIST | |
| I | Outlier 1608.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1578.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1546.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1585.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | Outlier 1524.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1551.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1578.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1579.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1573.00 | NIST | |
| I | 1566.00 | NIST | |
| I | Outlier 1533.00 | NIST | |
| I | 1577.00 | NIST | |
| I | 1564.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1538.00 | NIST | |
| I | Outlier 1618.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1597.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1594.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1590.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1539.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1584.00 | NIST | |
| Tboil | 427.60 | K | KDB |
| Tc | [605.00; 609.40] | K |
|
| Tc | 605.00 | K | KDB |
| Tc | 605.00 ± 1.50 | K | NIST |
| Tc | 609.40 ± 6.00 | K | NIST |
| Tfus | [225.25; 228.15] | K |
|
| Tfus | 226.90 | K | Aq. Sol... |
| Tfus | 227.00 | K | KDB |
| Tfus | 227.05 ± 0.20 | K | NIST |
| Tfus | 227.20 ± 0.60 | K | NIST |
| Tfus | 227.05 ± 0.50 | K | NIST |
| Tfus | 227.00 ± 2.00 | K | NIST |
| Tfus | 227.15 ± 0.40 | K | NIST |
| Tfus | Outlier 225.25 ± 0.40 | K | NIST |
| Tfus | 228.15 ± 2.00 | K | NIST |
| Vc | 0.292 | m3/kmol | KDB |
| Zc | 0.2147790 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.25; 183.06] | J/mol×K | [436.53; 614.26] |
|
| Cp,gas | 146.25 | J/mol×K | 436.53 | Joback Calculated Property |
| Cp,gas | 153.06 | J/mol×K | 466.15 | Joback Calculated Property |
| Cp,gas | 159.59 | J/mol×K | 495.77 | Joback Calculated Property |
| Cp,gas | 165.85 | J/mol×K | 525.39 | Joback Calculated Property |
| Cp,gas | 171.84 | J/mol×K | 555.02 | Joback Calculated Property |
| Cp,gas | 177.58 | J/mol×K | 584.64 | Joback Calculated Property |
| Cp,gas | 183.06 | J/mol×K | 614.26 | Joback Calculated Property |
| Cp,liquid | [171.10; 181.70] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 171.10 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 181.70 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 173.00 | J/mol×K | 298.15 | NIST |
| η | [0.0002698; 0.0663519] | Pa×s | [230.59; 436.53] |
|
| η | 0.0663519 | Pa×s | 230.59 | Joback Calculated Property |
| η | 0.0146308 | Pa×s | 264.91 | Joback Calculated Property |
| η | 0.0045636 | Pa×s | 299.24 | Joback Calculated Property |
| η | 0.0018091 | Pa×s | 333.56 | Joback Calculated Property |
| η | 0.0008524 | Pa×s | 367.88 | Joback Calculated Property |
| η | 0.0004566 | Pa×s | 402.21 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 436.53 | Joback Calculated Property |
| ΔvapH | [45.40; 55.80] | kJ/mol | [235.50; 495.00] |
|
| ΔvapH | 53.00 ± 3.00 | kJ/mol | 235.50 | NIST |
| ΔvapH | 55.80 ± 0.30 | kJ/mol | 293.00 | NIST |
| ΔvapH | 50.90 | kJ/mol | 358.00 | NIST |
| ΔvapH | 51.60 | kJ/mol | 394.50 | NIST |
| ΔvapH | 50.50 | kJ/mol | 400.50 | NIST |
| ΔvapH | 45.40 | kJ/mol | 495.00 | NIST |
| Pvap | [14.55; 100.59] | kPa | [375.21; 426.16] |
|
| Pvap | 14.55 | kPa | 375.21 | Subatmo... |
| Pvap | 19.58 | kPa | 382.14 | Subatmo... |
| Pvap | 29.65 | kPa | 391.77 | Subatmo... |
| Pvap | 39.72 | kPa | 399.43 | Subatmo... |
| Pvap | 49.79 | kPa | 405.44 | Subatmo... |
| Pvap | 59.85 | kPa | 410.75 | Subatmo... |
| Pvap | 69.92 | kPa | 415.51 | Subatmo... |
| Pvap | 79.99 | kPa | 419.77 | Subatmo... |
| Pvap | 90.07 | kPa | 423.36 | Subatmo... |
| Pvap | 95.10 | kPa | 424.86 | Subatmo... |
| Pvap | 100.59 | kPa | 426.16 | Subatmo... |
| n0 | [1.38930; 1.39330] | [293.15; 303.15] |
|
|
| n0 | 1.39330 | 293.15 | Vapour ... | |
| n0 | 1.39310 | 293.15 | Vapour-... | |
| n0 | 1.38930 | 303.15 | Liquid ... | |
| n0 | 1.38930 | 303.15 | Phase e... | |
| n0 | 1.39130 | 303.15 | (Liquid... | |
| ρl | [927.96; 968.00] | kg/m3 | [293.00; 313.15] |
|
| ρl | 968.00 | kg/m3 | 293.00 | KDB |
| ρl | 948.23 | kg/m3 | 293.15 | Density... |
| ρl | 941.63 | kg/m3 | 298.15 | Tie-Lin... |
| ρl | 943.19 | kg/m3 | 298.15 | Density... |
| ρl | 941.63 | kg/m3 | 298.20 | Phase e... |
| ρl | 938.12 | kg/m3 | 303.15 | Density... |
| ρl | 933.05 | kg/m3 | 308.15 | Density... |
| ρl | 927.96 | kg/m3 | 313.15 | Density... |
| csound,fluid | [1015.20; 1100.20] | m/s | [295.15; 313.15] |
|
| csound,fluid | 1100.20 | m/s | 295.15 | Density... |
| csound,fluid | 1086.00 | m/s | 298.15 | Density... |
| csound,fluid | 1072.10 | m/s | 301.15 | Density... |
| csound,fluid | 1058.20 | m/s | 304.15 | Density... |
| csound,fluid | 1043.40 | m/s | 307.15 | Density... |
| csound,fluid | 1030.80 | m/s | 310.15 | Density... |
| csound,fluid | 1015.20 | m/s | 313.15 | Density... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [325.47; 451.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55638e+01 | |||
| Coefficient B | -3.91998e+03 | |||
| Coefficient C | -6.88650e+01 | |||
| Temperature range, min. | 325.47 | |||
| Temperature range, max. | 451.21 | |||
| Pvap | 1.33 | kPa | 325.47 | Calculated Property |
| Pvap | 2.93 | kPa | 339.44 | Calculated Property |
| Pvap | 5.98 | kPa | 353.41 | Calculated Property |
| Pvap | 11.39 | kPa | 367.38 | Calculated Property |
| Pvap | 20.48 | kPa | 381.35 | Calculated Property |
| Pvap | 35.03 | kPa | 395.33 | Calculated Property |
| Pvap | 57.35 | kPa | 409.30 | Calculated Property |
| Pvap | 90.29 | kPa | 423.27 | Calculated Property |
| Pvap | 137.35 | kPa | 437.24 | Calculated Property |
| Pvap | 202.63 | kPa | 451.21 | Calculated Property |
| Pvap | [2.85e-04; 3728.78] | kPa | [227.15; 609.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.66544e+01 | |||
| Coefficient B | -6.77334e+03 | |||
| Coefficient C | -8.78498e-01 | |||
| Coefficient D | -4.52289e-06 | |||
| Temperature range, min. | 227.15 | |||
| Temperature range, max. | 609.15 | |||
| Pvap | 2.85e-04 | kPa | 227.15 | Calculated Property |
| Pvap | 0.02 | kPa | 269.59 | Calculated Property |
| Pvap | 0.58 | kPa | 312.04 | Calculated Property |
| Pvap | 6.18 | kPa | 354.48 | Calculated Property |
| Pvap | 37.36 | kPa | 396.93 | Calculated Property |
| Pvap | 151.32 | kPa | 439.37 | Calculated Property |
| Pvap | 454.66 | kPa | 481.82 | Calculated Property |
| Pvap | 1086.14 | kPa | 524.26 | Calculated Property |
| Pvap | 2165.08 | kPa | 566.71 | Calculated Property |
| Pvap | 3728.78 | kPa | 609.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-.
Mixtures
- Pentanoic acid + Propanoic acid, 2-methyl-
- Hexanoic acid + Propanoic acid, 2-methyl-
- Acetonitrile + Dodecane + Propanoic acid, 2-methyl-
- Pentane + Propanoic acid, 2-methyl- + Thiophene, tetrahydro-, 1,1-dioxide
- Butanoic acid + Propanoic acid, 2-methyl-
- Heptane + Propanoic acid, 2-methyl- + Thiophene, tetrahydro-, 1,1-dioxide
- 1,4-Dioxane + Propanoic acid, 2-methyl-
- Propanoic acid, 2-methyl- + Water
- potassium chloride + Propanoic acid, 2-methyl- + Water
- diindium trioxide + Propanoic acid, 2-methyl- + Water
- Benzene, (1-methylethyl)- + Propanoic acid, 2-methyl- + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapour liquid equilibrium of carboxylic acid systems: Propionic acid + valeric acid and isobutyric acid + valeric acid
- Resistivity viscosity relationship in liquid liquid critical mixtures with added ions
- Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
- Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K
- Phase equilibria of (water + propionic acid or butyric acid + 2-methoxy- 2-methylpropane) ternary systems at 298.2 K and 323.2 K
- Phase equilibria measurements of ternary mixtures (sulfolane + a carboxylic acid + pentane) at 303.15 K
- Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
- (Liquid + liquid) equilibria measurements for ternary systems (sulfolane + a carboxylic acid + n-heptane) at T = 303.15 K and at 0.1 MPa
- Liquid-liquid equilibrium for the system of ionic liquid [BMIm][HSO4] catalysed isobutyl isobutyrate formation
- Tie-Line Data for Aqueous Mixtures of Butyric Acid with Diisopropyl Ether at Various Temperatures
- Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
- Salting-Out Effect of NaCl and KCl on the Liquid Liquid Equilibrium of Water + 2-Methylpropanoic Acid + (1-Methylethyl)-benzene System at Several Temperatures
- Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
- Chemical Equilibrium and Critical Phenomena: Solubility of Indium Oxide in Isobutyric Acid + Water Near the Consolute Point
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Take the time to validate and double check the source of the data.
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that the value is more than 2 standard deviations away from the
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