- InChI
- InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
- InChI Key
- AXFYFNCPONWUHW-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CC(C)(O)CC(=O)O
- Molecular Weight1
- 118.13
- CAS
- 625-08-1
- Other Names
-
- Butyric acid, 3-hydroxy-3-methyl-
- «beta»-Hydroxy-isovaleric acid
- 3-Hydroxyisovaleric acid
- 3-Hydroxy-3-methylbutanoic 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 | 0.7408 | Relay (1.0) Calculated Property | |
| ΔfG° | -408.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.232 | Crippen Calculated Property | |
| McVol | 94.620 | ml/mol | McGowan Calculated Property |
| Pc | 4876.56 | kPa | Joback Calculated Property |
| Inp | [985.20; 985.20] |
|
|
| Inp | 985.20 | NIST | |
| Inp | 985.20 | NIST | |
| Tboil | 474.45 | K | Relay (1.0) Calculated Property |
| Tc | 682.88 | K | Relay (1.0) Calculated Property |
| Tfus | 378.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.03; 265.93] | J/mol×K | [548.80; 724.01] |
|
| Cp,gas | 228.03 | J/mol×K | 548.80 | Joback Calculated Property |
| Cp,gas | 235.28 | J/mol×K | 578.00 | Joback Calculated Property |
| Cp,gas | 242.14 | J/mol×K | 607.20 | Joback Calculated Property |
| Cp,gas | 248.61 | J/mol×K | 636.41 | Joback Calculated Property |
| Cp,gas | 254.72 | J/mol×K | 665.61 | Joback Calculated Property |
| Cp,gas | 260.49 | J/mol×K | 694.81 | Joback Calculated Property |
| Cp,gas | 265.93 | J/mol×K | 724.01 | Joback Calculated Property |
| η | [0.0000646; 0.0296306] | Pa×s | [320.10; 548.80] |
|
| η | 0.0296306 | Pa×s | 320.10 | Joback Calculated Property |
| η | 0.0061970 | Pa×s | 358.22 | Joback Calculated Property |
| η | 0.0017512 | Pa×s | 396.33 | Joback Calculated Property |
| η | 0.0006177 | Pa×s | 434.45 | Joback Calculated Property |
| η | 0.0002578 | Pa×s | 472.57 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 510.68 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 548.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-hydroxy-3-methyl-.
Sources
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