- InChI
- InChI=1S/C16H29NO3/c1-4-5-6-7-8-9-12-20-16(19)10-11-17-15(18)13-14(2)3/h13H,4-12H2,1-3H3,(H,17,18)
- InChI Key
- RJGHMGYFMHNHKK-UHFFFAOYSA-N
- Formula
- C16H29NO3
- SMILES
- CCCCCCCCOC(=O)CCNC(=O)C=C(C)C
- Molecular Weight1
- 283.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8672 | Relay (... Calculated Property | |
| ΔfG° | -117.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.12 | Relay (... Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 250.990 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | 2178.00 | NIST | |
| Tboil | 593.49 | K | Relay (... Calculated Property |
| Tc | 791.58 | K | Relay (... Calculated Property |
| Tfus | 313.79 | K | Relay (... Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.50; 824.41] | J/mol×K | [749.85; 935.41] | 
|
| Cp,gas | 740.50 | J/mol×K | 749.85 | Joback Calculated Property |
| Cp,gas | 756.51 | J/mol×K | 780.78 | Joback Calculated Property |
| Cp,gas | 771.67 | J/mol×K | 811.70 | Joback Calculated Property |
| Cp,gas | 786.01 | J/mol×K | 842.63 | Joback Calculated Property |
| Cp,gas | 799.56 | J/mol×K | 873.56 | Joback Calculated Property |
| Cp,gas | 812.35 | J/mol×K | 904.48 | Joback Calculated Property |
| Cp,gas | 824.41 | J/mol×K | 935.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-methylbut-2-enoyl)-, octyl ester.
Sources
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