- InChI
- InChI=1S/C11H16O2/c1-5-7-10(6-2)13-11(12)8-9(3)4/h1,8,10H,6-7H2,2-4H3
- InChI Key
- YKZJFJKXQAFWBH-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- C#CCC(CC)OC(=O)C=C(C)C
- Molecular Weight1
- 180.24
- 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° | 100.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 160.390 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 1294.00 | NIST | |
| Tboil | 521.09 | K | Joback Calculated Property |
| Tc | 718.09 | K | Joback Calculated Property |
| Tfus | 298.82 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.96; 434.92] | J/mol×K | [521.09; 718.09] | 
|
| Cp,gas | 360.96 | J/mol×K | 521.09 | Joback Calculated Property |
| Cp,gas | 374.96 | J/mol×K | 553.92 | Joback Calculated Property |
| Cp,gas | 388.25 | J/mol×K | 586.76 | Joback Calculated Property |
| Cp,gas | 400.87 | J/mol×K | 619.59 | Joback Calculated Property |
| Cp,gas | 412.83 | J/mol×K | 652.42 | Joback Calculated Property |
| Cp,gas | 424.17 | J/mol×K | 685.26 | Joback Calculated Property |
| Cp,gas | 434.92 | J/mol×K | 718.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, hex-4-yn-3-yl ester.
Sources
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