- InChI
- InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3
- InChI Key
- SMCDNXLLJDMHQF-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- C=C(C)COC(=O)C(C)C
- Molecular Weight1
- 142.20
- CAS
- 816-73-9
- Other Names
-
- 2-Methylpropanoic acid, 2-methyl-, 2-propenyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -140.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.58 | 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 | 2814.34 | kPa | Joback Calculated Property |
| Inp | [927.40; 927.40] |
|
|
| Inp | 927.40 | NIST | |
| Inp | 927.40 | NIST | |
| Tboil | 454.85 | K | Joback Calculated Property |
| Tc | 640.80 | K | Joback Calculated Property |
| Tfus | 221.36 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.11; 328.94] | J/mol×K | [454.85; 640.80] |
|
| Cp,gas | 263.11 | J/mol×K | 454.85 | Joback Calculated Property |
| Cp,gas | 275.28 | J/mol×K | 485.84 | Joback Calculated Property |
| Cp,gas | 286.96 | J/mol×K | 516.83 | Joback Calculated Property |
| Cp,gas | 298.16 | J/mol×K | 547.83 | Joback Calculated Property |
| Cp,gas | 308.88 | J/mol×K | 578.82 | Joback Calculated Property |
| Cp,gas | 319.14 | J/mol×K | 609.81 | Joback Calculated Property |
| Cp,gas | 328.94 | J/mol×K | 640.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylallyl isobutyrate.
Sources
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