- InChI
- InChI=1S/C10H18O2/c1-7(2)6-10(11)12-9(5)8(3)4/h6,8-9H,1-5H3
- InChI Key
- KJAJVDYSLRBEOK-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)=CC(=O)OC(C)C(C)C
- Molecular Weight1
- 170.25
- 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° | -133.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | 1148.00 | NIST | |
| Tboil | 507.65 | K | Joback Calculated Property |
| Tc | 698.35 | K | Joback Calculated Property |
| Tfus | 225.58 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.05; 429.86] | J/mol×K | [507.65; 698.35] | 
|
| Cp,gas | 351.05 | J/mol×K | 507.65 | Joback Calculated Property |
| Cp,gas | 365.81 | J/mol×K | 539.43 | Joback Calculated Property |
| Cp,gas | 379.90 | J/mol×K | 571.22 | Joback Calculated Property |
| Cp,gas | 393.33 | J/mol×K | 603.00 | Joback Calculated Property |
| Cp,gas | 406.12 | J/mol×K | 634.78 | Joback Calculated Property |
| Cp,gas | 418.29 | J/mol×K | 666.57 | Joback Calculated Property |
| Cp,gas | 429.86 | J/mol×K | 698.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-2-enoic acid, 3-methylbut-2-yl ester.
Sources
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