- InChI
- InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
- InChI Key
- XDOWKOALJBOBBL-SNAWJCMRSA-N
- Formula
- C8H14O2
- SMILES
- CC=CC(=O)OCC(C)C
- Molecular Weight1
- 142.20
- CAS
- 589-66-2
- Other Names
-
- Isobutyl 2-butenoate
- 2-methylpropyl crotonate
- 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.
- 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° | -139.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.762 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [975.00; 1010.00] |
|
|
| Inp | 975.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Tboil | 462.45 | K | Joback Calculated Property |
| Tc | 649.84 | K | Joback Calculated Property |
| Tfus | 232.00 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.44; 329.27] | J/mol×K | [462.45; 649.84] |
|
| Cp,gas | 263.44 | J/mol×K | 462.45 | Joback Calculated Property |
| Cp,gas | 275.69 | J/mol×K | 493.68 | Joback Calculated Property |
| Cp,gas | 287.40 | J/mol×K | 524.91 | Joback Calculated Property |
| Cp,gas | 298.61 | J/mol×K | 556.15 | Joback Calculated Property |
| Cp,gas | 309.31 | J/mol×K | 587.38 | Joback Calculated Property |
| Cp,gas | 319.53 | J/mol×K | 618.61 | Joback Calculated Property |
| Cp,gas | 329.27 | J/mol×K | 649.84 | Joback Calculated Property |
| η | [0.0002021; 0.0045131] | Pa×s | [232.00; 462.45] |
|
| η | 0.0045131 | Pa×s | 232.00 | Joback Calculated Property |
| η | 0.0018620 | Pa×s | 270.41 | Joback Calculated Property |
| η | 0.0009575 | Pa×s | 308.82 | Joback Calculated Property |
| η | 0.0005704 | Pa×s | 347.23 | Joback Calculated Property |
| η | 0.0003767 | Pa×s | 385.63 | Joback Calculated Property |
| η | 0.0002682 | Pa×s | 424.04 | Joback Calculated Property |
| η | 0.0002021 | Pa×s | 462.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2-methylpropyl ester.
Sources
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