- 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
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 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 | 0.6013 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2842.20 ± 5.90 | kJ/mol | NIST |
| ΔfH°gas | -495.40 ± 6.60 | kJ/mol | NIST |
| ΔfH°liquid | -554.50 ± 5.90 | kJ/mol | NIST |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.117 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | 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 | 875.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 886.20 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | Outlier 815.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 881.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 894.00 | 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 | 1657.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1680.60 | NIST | |
| I | 1641.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1660.00 | 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 | 624.85 | K | Relay (1.0) Calculated Property |
| Tfus | 225.15 ± 2.00 | K | NIST |
| Vc | 0.326 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.16; 234.26] | J/mol×K | [459.07; 654.62] |
|
| Cp,gas | 186.16 | J/mol×K | 459.07 | Joback Calculated Property |
| Cp,gas | 195.25 | J/mol×K | 491.66 | Joback Calculated Property |
| Cp,gas | 203.89 | J/mol×K | 524.25 | Joback Calculated Property |
| Cp,gas | 212.10 | J/mol×K | 556.85 | Joback Calculated Property |
| Cp,gas | 219.88 | J/mol×K | 589.44 | Joback Calculated Property |
| Cp,gas | 227.26 | J/mol×K | 622.03 | Joback Calculated Property |
| Cp,gas | 234.26 | J/mol×K | 654.62 | Joback Calculated Property |
| η | [0.0002903; 0.0021123] | Pa×s | [291.71; 459.07] |
|
| η | 0.0021123 | Pa×s | 291.71 | Joback Calculated Property |
| η | 0.0013135 | Pa×s | 319.60 | Joback Calculated Property |
| η | 0.0008815 | Pa×s | 347.50 | Joback Calculated Property |
| η | 0.0006277 | Pa×s | 375.39 | Joback Calculated Property |
| η | 0.0004685 | Pa×s | 403.28 | Joback Calculated Property |
| η | 0.0003631 | Pa×s | 431.18 | Joback Calculated Property |
| η | 0.0002903 | Pa×s | 459.07 | 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.
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