- InChI
- InChI=1S/C16H27NO3/c1-5-13(3)15(18)17-11-9-7-8-10-12-20-16(19)14(4)6-2/h5-6H,7-12H2,1-4H3,(H,17,18)/b13-5+,14-6+
- InChI Key
- GHZZKGYIXASYDS-ACFHMISVSA-N
- Formula
- C16H27NO3
- SMILES
-
CC=C(C)C(=O)NCCCCCCOC(=O)C(C)=
CC - Molecular Weight1
- 281.39
- 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° | -46.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.139 | Crippen Calculated Property | |
| McVol | 246.690 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Inp | [2300.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 753.89 | K | Joback Calculated Property |
| Tc | 946.07 | K | Joback Calculated Property |
| Tfus | 406.75 | K | Joback Calculated Property |
| Vc | 0.959 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.93; 797.97] | J/mol×K | [753.89; 946.07] |
|
| Cp,gas | 715.93 | J/mol×K | 753.89 | Joback Calculated Property |
| Cp,gas | 731.58 | J/mol×K | 785.92 | Joback Calculated Property |
| Cp,gas | 746.37 | J/mol×K | 817.95 | Joback Calculated Property |
| Cp,gas | 760.37 | J/mol×K | 849.98 | Joback Calculated Property |
| Cp,gas | 773.61 | J/mol×K | 882.01 | Joback Calculated Property |
| Cp,gas | 786.12 | J/mol×K | 914.04 | Joback Calculated Property |
| Cp,gas | 797.97 | J/mol×K | 946.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-((E)-2-Methylbut-2-enamido)hexyl (E)-2-methylbut-2-enoate.
Sources
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