- InChI
- InChI=1S/C17H33NO3/c1-3-5-7-8-9-11-15-21-17(20)13-14-18-16(19)12-10-6-4-2/h3-15H2,1-2H3,(H,18,19)
- InChI Key
- MMBXCVDQCDHCKA-UHFFFAOYSA-N
- Formula
- C17H33NO3
- SMILES
- CCCCCCCCOC(=O)CCNC(=O)CCCCC
- Molecular Weight1
- 299.45
- 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 | 0.9479 | Relay (... Calculated Property | |
| ΔfG° | -181.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.06 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -4.08 | Relay (... Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 269.380 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Inp | [2273.00; 2273.00] |
|
|
| Inp | 2273.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Tboil | 601.92 | K | Relay (... Calculated Property |
| Tc | 797.97 | K | Relay (... Calculated Property |
| Tfus | 301.06 | K | Relay (... Calculated Property |
| Vc | 1.026 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.82; 910.67] | J/mol×K | [768.69; 949.75] |
|
| Cp,gas | 822.82 | J/mol×K | 768.69 | Joback Calculated Property |
| Cp,gas | 839.64 | J/mol×K | 798.87 | Joback Calculated Property |
| Cp,gas | 855.55 | J/mol×K | 829.04 | Joback Calculated Property |
| Cp,gas | 870.59 | J/mol×K | 859.22 | Joback Calculated Property |
| Cp,gas | 884.78 | J/mol×K | 889.40 | Joback Calculated Property |
| Cp,gas | 898.13 | J/mol×K | 919.58 | Joback Calculated Property |
| Cp,gas | 910.67 | J/mol×K | 949.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, octyl ester.
Sources
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