- InChI
- InChI=1S/C16H31NO3/c1-3-5-7-8-10-14-20-16(19)12-13-17-15(18)11-9-6-4-2/h3-14H2,1-2H3,(H,17,18)
- InChI Key
- FOYMNYMFGOZPJU-UHFFFAOYSA-N
- Formula
- C16H31NO3
- SMILES
- CCCCCCCOC(=O)CCNC(=O)CCCCC
- Molecular Weight1
- 285.42
- 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 | 0.9126 | Relay (... Calculated Property | |
| ΔfG° | -189.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.42 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.18 | eV | Relay (... Calculated Property |
| log10WS | -3.72 | Relay (... Calculated Property | |
| logPoct/wat | 3.587 | Crippen Calculated Property | |
| McVol | 255.290 | ml/mol | McGowan Calculated Property |
| Pc | 1443.54 | kPa | Joback Calculated Property |
| Inp | 2169.00 | NIST | |
| Tboil | 594.58 | K | Relay (... Calculated Property |
| Tc | 788.82 | K | Relay (... Calculated Property |
| Tfus | 296.12 | K | Relay (... Calculated Property |
| Vc | 0.971 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.84; 850.85] | J/mol×K | [745.81; 925.62] | 
|
| Cp,gas | 764.84 | J/mol×K | 745.81 | Joback Calculated Property |
| Cp,gas | 781.25 | J/mol×K | 775.78 | Joback Calculated Property |
| Cp,gas | 796.80 | J/mol×K | 805.75 | Joback Calculated Property |
| Cp,gas | 811.52 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 825.42 | J/mol×K | 865.68 | Joback Calculated Property |
| Cp,gas | 838.53 | J/mol×K | 895.65 | Joback Calculated Property |
| Cp,gas | 850.85 | J/mol×K | 925.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, heptyl ester.
Sources
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