- InChI
- InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
- InChI Key
- BWLBGMIXKSTLSX-UHFFFAOYSA-N
- Formula
- C4H8O3
- SMILES
- CC(C)(O)C(=O)O
- Molecular Weight1
- 104.10
- Other Names
-
- (CH3)2COHCOOH
- 2-Hydroxy-2-methylpropionic acid
- 2-hydroxy-2-methylpropanoic acid
- 2-hydroxyisobutyric acid
- 2-methyllactic acid
- Acetonic acid
- Hydroxydimethylacetic acid
- Lactic acid, 2-methyl-
- NSC 402158
- NSC 4505
- Propanoic acid, 2-methyl-2-hydroxy-
- «alpha»-Hydroxyisobutanoic acid
- «alpha»-Hydroxyisobutyric acid
- 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).
- ρs : Solid Density (kg/m3).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7067 | Relay (1.0) Calculated Property | |
| ΔfG° | -495.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.90 ± 0.10 | eV | NIST |
| log10WS | 0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.158 | Crippen Calculated Property | |
| McVol | 80.530 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Ip | [1918.00; 1918.00] |
|
|
| Ip | 1918.00 | NIST | |
| Ip | 1918.00 | NIST | |
| Tboil | 485.20 | K | NIST |
| Tc | 671.85 | K | Relay (1.0) Calculated Property |
| Tfus | [353.90; 354.00] | K |
|
| Tfus | 353.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 354.00 ± 3.00 | K | NIST |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 67.50 | kJ/mol | 428.00 | NIST |
| ρs | 1240.00 | kg/m3 | 293.00 | Thermodynamic properties of 2-methyl lactic acid |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 357.20 | K | 0.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.00; 256.61] | 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 | -1.53300e+01 | |||
| Coefficient B | 5.94440e-01 | |||
| Coefficient C | -4.68600e-04 | |||
| Coefficient D | 1.46100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 115.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 166.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 186.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 203.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 239.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 248.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 256.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034441; 0.0001949] | Pa×s | [353.95; 503.89] |
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 | -1.53226e+01 | |||
| Coefficient B | 3.41615e+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. | 353.95 | |||
| Temperature range, max. | 503.89 | |||
| η | 0.0034441 | Pa×s | 353.95 | Calculated Property |
| η | 0.0022318 | Pa×s | 370.61 | Calculated Property |
| η | 0.0015012 | Pa×s | 387.27 | Calculated Property |
| η | 0.0010434 | Pa×s | 403.93 | Calculated Property |
| η | 0.0007464 | Pa×s | 420.59 | Calculated Property |
| η | 0.0005477 | Pa×s | 437.25 | Calculated Property |
| η | 0.0004112 | Pa×s | 453.91 | Calculated Property |
| η | 0.0003150 | Pa×s | 470.57 | Calculated Property |
| η | 0.0002457 | Pa×s | 487.23 | Calculated Property |
| η | 0.0001949 | Pa×s | 503.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-hydroxy-2-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic properties of 2-methyl lactic acid
- Joback Method
- McGowan Method
- NIST Webbook
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