- InChI
- InChI=1S/C18H33NO3/c1-3-5-6-7-8-9-10-11-12-13-16-22-18(21)14-15-19-17(20)4-2/h4H,2-3,5-16H2,1H3,(H,19,20)
- InChI Key
- DRTDMOMXTHYZLJ-UHFFFAOYSA-N
- Formula
- C18H33NO3
- SMILES
- C=CC(=O)NCCC(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 311.46
- 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° | -84.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.143 | Crippen Calculated Property | |
| McVol | 279.170 | ml/mol | McGowan Calculated Property |
| Pc | 1292.07 | kPa | Joback Calculated Property |
| Inp | 2409.00 | NIST | |
| Tboil | 788.25 | K | Joback Calculated Property |
| Tc | 971.95 | K | Joback Calculated Property |
| Tfus | 465.61 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.35; 942.24] | J/mol×K | [788.25; 971.95] | 
|
| Cp,gas | 855.35 | J/mol×K | 788.25 | Joback Calculated Property |
| Cp,gas | 872.04 | J/mol×K | 818.87 | Joback Calculated Property |
| Cp,gas | 887.81 | J/mol×K | 849.48 | Joback Calculated Property |
| Cp,gas | 902.69 | J/mol×K | 880.10 | Joback Calculated Property |
| Cp,gas | 916.70 | J/mol×K | 910.72 | Joback Calculated Property |
| Cp,gas | 929.88 | J/mol×K | 941.33 | Joback Calculated Property |
| Cp,gas | 942.24 | J/mol×K | 971.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-acryloyl-, dodecyl ester.
Sources
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