- InChI
- InChI=1S/C8H16O3/c1-6(2)5-11-8(10)4-7(3)9/h6-7,9H,4-5H2,1-3H3
- InChI Key
- DBUHENMJXAGYNE-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CC(C)COC(=O)CC(C)O
- Molecular Weight1
- 160.21
- Other Names
-
- 2-Methylpropyl 3-hydroxybutanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -359.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.46 | kJ/mol | Joback Calculated Property |
| log10WS | -1.17 | Crippen Calculated Property | |
| logPoct/wat | 0.956 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [1091.00; 1093.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1091.00 | NIST | |
| I | [1617.00; 1633.00] |
|
|
| I | 1633.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1633.00 | NIST | |
| Tboil | 550.03 | K | Joback Calculated Property |
| Tc | 724.80 | K | Joback Calculated Property |
| Tfus | 282.90 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.04; 394.85] | J/mol×K | [550.03; 724.80] |
|
| Cp,gas | 334.04 | J/mol×K | 550.03 | Joback Calculated Property |
| Cp,gas | 345.30 | J/mol×K | 579.16 | Joback Calculated Property |
| Cp,gas | 356.10 | J/mol×K | 608.29 | Joback Calculated Property |
| Cp,gas | 366.45 | J/mol×K | 637.42 | Joback Calculated Property |
| Cp,gas | 376.36 | J/mol×K | 666.54 | Joback Calculated Property |
| Cp,gas | 385.82 | J/mol×K | 695.67 | Joback Calculated Property |
| Cp,gas | 394.85 | J/mol×K | 724.80 | Joback Calculated Property |
| η | [0.0000978; 0.0249265] | Pa×s | [282.90; 550.03] |
|
| η | 0.0249265 | Pa×s | 282.90 | Joback Calculated Property |
| η | 0.0052844 | Pa×s | 327.42 | Joback Calculated Property |
| η | 0.0016241 | Pa×s | 371.94 | Joback Calculated Property |
| η | 0.0006423 | Pa×s | 416.46 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 460.99 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 505.51 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 550.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to isobutyl 3-hydroxybutanoate.
Sources
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