- InChI
- InChI=1S/C17H33NO3/c1-4-5-6-7-8-9-10-11-14-21-16(19)12-13-18-17(20)15(2)3/h15H,4-14H2,1-3H3,(H,18,20)
- InChI Key
- FZRIUIAKXRPAQS-UHFFFAOYSA-N
- Formula
- C17H33NO3
- SMILES
- CCCCCCCCCCOC(=O)CCNC(=O)C(C)C
- 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 | 0.9135 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.833 | Crippen Calculated Property | |
| McVol | 269.380 | ml/mol | McGowan Calculated Property |
| Pc | 1351.64 | kPa | Joback Calculated Property |
| Inp | [2208.00; 2208.00] |
|
|
| Inp | 2208.00 | NIST | |
| Inp | 2208.00 | NIST | |
| Tboil | 587.94 | K | Relay (1.0) Calculated Property |
| Tc | 786.38 | K | Relay (1.0) Calculated Property |
| Tfus | 306.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.32; 911.70] | J/mol×K | [768.25; 950.75] |
|
| Cp,gas | 823.32 | J/mol×K | 768.25 | Joback Calculated Property |
| Cp,gas | 840.28 | J/mol×K | 798.67 | Joback Calculated Property |
| Cp,gas | 856.32 | J/mol×K | 829.08 | Joback Calculated Property |
| Cp,gas | 871.45 | J/mol×K | 859.50 | Joback Calculated Property |
| Cp,gas | 885.72 | J/mol×K | 889.92 | Joback Calculated Property |
| Cp,gas | 899.12 | J/mol×K | 920.33 | Joback Calculated Property |
| Cp,gas | 911.70 | J/mol×K | 950.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, decyl ester.
Sources
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