- InChI
- InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
- InChI Key
- RILPIWOPNGRASR-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCC(C)C(O)C(=O)O
- Molecular Weight1
- 132.16
- Other Names
-
- 2-Hydroxy-3-methylpentanoic 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).
- 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.
- 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 | 0.7316 | Relay (1.0) Calculated Property | |
| ΔfG° | -485.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.34 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.478 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Inp | [1142.60; 1142.60] |
|
|
| Inp | 1142.60 | NIST | |
| Inp | 1142.60 | NIST | |
| Tboil | 471.86 | K | Relay (1.0) Calculated Property |
| Tc | 698.76 | K | Relay (1.0) Calculated Property |
| Tfus | 307.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.30; 318.16] | J/mol×K | [573.69; 760.25] |
|
| Cp,gas | 271.30 | J/mol×K | 573.69 | Joback Calculated Property |
| Cp,gas | 280.19 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 288.63 | J/mol×K | 635.88 | Joback Calculated Property |
| Cp,gas | 296.63 | J/mol×K | 666.97 | Joback Calculated Property |
| Cp,gas | 304.20 | J/mol×K | 698.06 | Joback Calculated Property |
| Cp,gas | 311.37 | J/mol×K | 729.16 | Joback Calculated Property |
| Cp,gas | 318.16 | J/mol×K | 760.25 | Joback Calculated Property |
| η | [0.0000990; 0.0047252] | Pa×s | [348.80; 573.69] |
|
| η | 0.0047252 | Pa×s | 348.80 | Joback Calculated Property |
| η | 0.0018150 | Pa×s | 386.28 | Joback Calculated Property |
| η | 0.0008257 | Pa×s | 423.76 | Joback Calculated Property |
| η | 0.0004269 | Pa×s | 461.25 | Joback Calculated Property |
| η | 0.0002438 | Pa×s | 498.73 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 536.21 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 573.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3-methylpentanoic acid.
Sources
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