- InChI
- InChI=1S/C17H32O2/c1-4-6-7-8-9-10-11-12-13-14-15-19-17(18)16(3)5-2/h5H,4,6-15H2,1-3H3/b16-5+
- InChI Key
- YSACBAGMGGQJJP-FZSIALSZSA-N
- Formula
- C17H32O2
- SMILES
- CC=C(C)C(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 268.43
- 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° | -69.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 5.417 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1325.20 | kPa | Joback Calculated Property |
| Inp | 1930.00 | NIST | |
| Tboil | 668.69 | K | Joback Calculated Property |
| Tc | 842.79 | K | Joback Calculated Property |
| Tfus | 334.47 | K | Joback Calculated Property |
| Vc | 0.993 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.64; 807.31] | J/mol×K | [668.69; 842.79] | 
|
| Cp,gas | 710.64 | J/mol×K | 668.69 | Joback Calculated Property |
| Cp,gas | 728.72 | J/mol×K | 697.71 | Joback Calculated Property |
| Cp,gas | 745.98 | J/mol×K | 726.72 | Joback Calculated Property |
| Cp,gas | 762.44 | J/mol×K | 755.74 | Joback Calculated Property |
| Cp,gas | 778.13 | J/mol×K | 784.75 | Joback Calculated Property |
| Cp,gas | 793.08 | J/mol×K | 813.77 | Joback Calculated Property |
| Cp,gas | 807.31 | J/mol×K | 842.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl (E)-2-methylbut-2-enoate.
Sources
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