- InChI
- InChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h5H,4,6-14H2,1-3H3/b15-5+
- InChI Key
- XZQGJOXZQNBUQA-PJQLUOCWSA-N
- Formula
- C16H30O2
- SMILES
- CC=C(C)C(=O)OCCCCCCCCCCC
- Molecular Weight1
- 254.41
- 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° | -78.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.40 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 5.027 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | 1829.00 | NIST | |
| Tboil | 645.81 | K | Joback Calculated Property |
| Tc | 820.29 | K | Joback Calculated Property |
| Tfus | 323.20 | K | Joback Calculated Property |
| Vc | 0.936 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.82; 749.36] | J/mol×K | [645.81; 820.29] | 
|
| Cp,gas | 654.82 | J/mol×K | 645.81 | Joback Calculated Property |
| Cp,gas | 672.49 | J/mol×K | 674.89 | Joback Calculated Property |
| Cp,gas | 689.35 | J/mol×K | 703.97 | Joback Calculated Property |
| Cp,gas | 705.45 | J/mol×K | 733.05 | Joback Calculated Property |
| Cp,gas | 720.80 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 735.43 | J/mol×K | 791.21 | Joback Calculated Property |
| Cp,gas | 749.36 | J/mol×K | 820.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecyl (E)-2-methylbut-2-enoate.
Sources
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