- InChI
- InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
- InChI Key
- WHBMMWSBFZVSSR-UHFFFAOYSA-N
- Formula
- C4H8O3
- SMILES
- CC(O)CC(=O)O
- Molecular Weight1
- 104.10
- CAS
- 300-85-6
- Other Names
-
- Butyric acid, 3-hydroxy-
- «beta»-Hydroxy-n-butyric acid
- «beta»-Hydroxybutyric acid
- 3-Hydroxybutanoic acid
- 3-Hydroxybutyric acid
- 3 HBA
- (.+/-.)-3-Hydroxybutyric acid
- DL-«beta»-Hydroxybutyric acid
- NSC 3806
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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).
- 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 | 0.7171 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1787.80 | kJ/mol | NIST |
| ΔfG° | -422.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.158 | Crippen Calculated Property | |
| McVol | 80.530 | ml/mol | McGowan Calculated Property |
| Pc | 5511.44 | kPa | Joback Calculated Property |
| Inp | [976.60; 976.60] |
|
|
| Inp | 976.60 | NIST | |
| Inp | 976.60 | NIST | |
| Tboil | 472.16 | K | Relay (1.0) Calculated Property |
| Tc | 682.39 | K | Relay (1.0) Calculated Property |
| Tfus | 324.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.296 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.74; 215.01] | J/mol×K | [528.71; 699.49] |
|
| Cp,gas | 182.74 | J/mol×K | 528.71 | Joback Calculated Property |
| Cp,gas | 188.75 | J/mol×K | 557.17 | Joback Calculated Property |
| Cp,gas | 194.50 | J/mol×K | 585.64 | Joback Calculated Property |
| Cp,gas | 199.99 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 205.24 | J/mol×K | 642.57 | Joback Calculated Property |
| Cp,gas | 210.24 | J/mol×K | 671.03 | Joback Calculated Property |
| Cp,gas | 215.01 | J/mol×K | 699.49 | Joback Calculated Property |
| η | [0.0000819; 0.0729956] | Pa×s | [291.41; 528.71] |
|
| η | 0.0729956 | Pa×s | 291.41 | Joback Calculated Property |
| η | 0.0119633 | Pa×s | 330.96 | Joback Calculated Property |
| η | 0.0028846 | Pa×s | 370.51 | Joback Calculated Property |
| η | 0.0009152 | Pa×s | 410.06 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 449.61 | Joback Calculated Property |
| η | 0.0001608 | Pa×s | 489.16 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 528.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-hydroxy-.
Sources
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