- InChI
- InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
- InChI Key
- WLAMNBDJUVNPJU-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CCC(C)C(=O)O
- Molecular Weight1
- 102.13
- CAS
- 116-53-0
- Other Names
-
- Butyric acid, 2-methyl-
- «alpha»-Methylbutyric acid
- Active valeric acid
- Ethylmethylacetic acid
- Methylethylacetic acid
- 2-Methylbutanoic acid
- 2-Methylbutyric acid
- 2-Methybutyric acid
- (.+/-.)-2-Methylbutanoic acid
- DL-2-Methylbutyric acid
- NSC 7304
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -2842.20 ± 5.90 | kJ/mol | NIST |
| ΔfG° | -276.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.40 ± 6.60 | kJ/mol | NIST |
| ΔfH°liquid | -554.50 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.76 | kJ/mol | Joback Calculated Property |
| log10WS | -0.77 | Crippen Calculated Property | |
| logPoct/wat | 1.117 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Inp | [813.00; 898.30] |
|
|
| Inp | 894.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 867.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 856.20 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 886.20 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 874.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 898.30 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | Outlier 813.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | Outlier 815.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | Outlier 815.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 886.20 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 873.00 | NIST | |
| I | [1620.00; 1711.00] |
|
|
| I | 1674.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1687.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1680.60 | NIST | |
| I | 1687.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1683.00 | NIST | |
| I | 1671.00 | NIST | |
| I | Outlier 1700.00 | NIST | |
| I | Outlier 1706.00 | NIST | |
| I | 1662.00 | NIST | |
| I | Outlier 1703.00 | NIST | |
| I | 1686.00 | NIST | |
| I | Outlier 1705.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1638.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1671.00 | NIST | |
| I | Outlier 1620.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1670.00 | NIST | |
| I | Outlier 1711.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1668.00 | NIST | |
| I | Outlier 1632.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1665.00 | NIST | |
| I | Outlier 1625.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1680.60 | NIST | |
| I | 1641.00 | NIST | |
| Tboil | [443.15; 453.45] | K |
|
| Tboil | Outlier 453.45 | K | NIST |
| Tboil | 449.65 ± 1.00 | K | NIST |
| Tboil | 449.25 ± 0.50 | K | NIST |
| Tboil | 450.75 ± 2.00 | K | NIST |
| Tboil | 448.15 ± 2.00 | K | NIST |
| Tboil | 450.15 ± 2.00 | K | NIST |
| Tboil | 447.15 ± 2.00 | K | NIST |
| Tboil | 446.15 ± 3.00 | K | NIST |
| Tboil | 446.15 ± 4.00 | K | NIST |
| Tboil | 446.15 ± 3.00 | K | NIST |
| Tboil | 446.65 ± 2.00 | K | NIST |
| Tboil | 448.15 ± 2.00 | K | NIST |
| Tboil | 450.40 ± 20.00 | K | NIST |
| Tboil | 444.65 ± 3.00 | K | NIST |
| Tboil | 448.55 ± 3.00 | K | NIST |
| Tboil | 446.65 ± 2.00 | K | NIST |
| Tboil | 447.15 ± 2.00 | K | NIST |
| Tboil | 447.15 ± 3.00 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | 446.65 ± 4.00 | K | NIST |
| Tboil | 447.15 ± 2.00 | K | NIST |
| Tboil | 446.65 ± 3.00 | K | NIST |
| Tboil | 450.15 ± 3.00 | K | NIST |
| Tboil | 449.15 ± 2.00 | K | NIST |
| Tboil | Outlier 443.15 ± 5.00 | K | NIST |
| Tc | 635.76 | K | Joback Calculated Property |
| Tfus | 225.15 ± 2.00 | K | NIST |
| Vc | 0.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.94; 227.44] | J/mol×K | [459.41; 635.76] |
|
| Cp,gas | 183.94 | J/mol×K | 459.41 | Joback Calculated Property |
| Cp,gas | 191.99 | J/mol×K | 488.80 | Joback Calculated Property |
| Cp,gas | 199.72 | J/mol×K | 518.19 | Joback Calculated Property |
| Cp,gas | 207.12 | J/mol×K | 547.58 | Joback Calculated Property |
| Cp,gas | 214.20 | J/mol×K | 576.97 | Joback Calculated Property |
| Cp,gas | 220.97 | J/mol×K | 606.37 | Joback Calculated Property |
| Cp,gas | 227.44 | J/mol×K | 635.76 | Joback Calculated Property |
| η | [0.0002315; 0.0540168] | Pa×s | [241.86; 459.41] |
|
| η | 0.0540168 | Pa×s | 241.86 | Joback Calculated Property |
| η | 0.0120393 | Pa×s | 278.12 | Joback Calculated Property |
| η | 0.0037936 | Pa×s | 314.38 | Joback Calculated Property |
| η | 0.0015179 | Pa×s | 350.63 | Joback Calculated Property |
| η | 0.0007211 | Pa×s | 386.89 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 423.15 | Joback Calculated Property |
| η | 0.0002315 | Pa×s | 459.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-methyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.