- InChI
- InChI=1S/C15H29NO3/c1-4-5-6-7-8-9-14(17)16-11-10-15(18)19-12-13(2)3/h13H,4-12H2,1-3H3,(H,16,17)
- InChI Key
- UPNLWMMQTAQTJQ-UHFFFAOYSA-N
- Formula
- C15H29NO3
- SMILES
- CCCCCCCC(=O)NCCC(=O)OCC(C)C
- Molecular Weight1
- 271.40
- 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 | 0.8477 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.052 | Crippen Calculated Property | |
| McVol | 241.200 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 585.97 | K | Relay (1.0) Calculated Property |
| Tc | 769.45 | K | Relay (1.0) Calculated Property |
| Tfus | 287.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.909 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.39; 793.27] | J/mol×K | [722.49; 903.63] |
|
| Cp,gas | 708.39 | J/mol×K | 722.49 | Joback Calculated Property |
| Cp,gas | 724.58 | J/mol×K | 752.68 | Joback Calculated Property |
| Cp,gas | 739.93 | J/mol×K | 782.87 | Joback Calculated Property |
| Cp,gas | 754.45 | J/mol×K | 813.06 | Joback Calculated Property |
| Cp,gas | 768.17 | J/mol×K | 843.25 | Joback Calculated Property |
| Cp,gas | 781.11 | J/mol×K | 873.44 | Joback Calculated Property |
| Cp,gas | 793.27 | J/mol×K | 903.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-capryloyl-, isobutyl ester.
Sources
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