- InChI
- InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+
- InChI Key
- XGOLBNZGKRAOKD-IZZDOVSWSA-N
- Formula
- C13H24O2
- SMILES
- CC=C(C)C(=O)OC(C)CCCCCC
- Molecular Weight1
- 212.33
- 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° | -106.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [1435.00; 1435.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Tboil | 576.73 | K | Joback Calculated Property |
| Tc | 757.65 | K | Joback Calculated Property |
| Tfus | 274.39 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.91; 584.19] | J/mol×K | [576.73; 757.65] |
|
| Cp,gas | 495.91 | J/mol×K | 576.73 | Joback Calculated Property |
| Cp,gas | 512.41 | J/mol×K | 606.88 | Joback Calculated Property |
| Cp,gas | 528.17 | J/mol×K | 637.04 | Joback Calculated Property |
| Cp,gas | 543.21 | J/mol×K | 667.19 | Joback Calculated Property |
| Cp,gas | 557.54 | J/mol×K | 697.35 | Joback Calculated Property |
| Cp,gas | 571.19 | J/mol×K | 727.50 | Joback Calculated Property |
| Cp,gas | 584.19 | J/mol×K | 757.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octan-2-yl (E)-2-methylbut-2-enoate.
Sources
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