- InChI
- InChI=1S/C16H31NO3/c1-4-5-6-7-8-9-10-13-20-15(18)11-12-17-16(19)14(2)3/h14H,4-13H2,1-3H3,(H,17,19)
- InChI Key
- JYBFYXBTJSVOHR-UHFFFAOYSA-N
- Formula
- C16H31NO3
- SMILES
- CCCCCCCCCOC(=O)CCNC(=O)C(C)C
- 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 | 0.8779 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 255.290 | ml/mol | McGowan Calculated Property |
| Pc | 1452.35 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2113.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 580.19 | K | Relay (1.0) Calculated Property |
| Tc | 776.48 | K | Relay (1.0) Calculated Property |
| Tfus | 301.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.34; 852.02] | J/mol×K | [745.37; 926.90] |
|
| Cp,gas | 765.34 | J/mol×K | 745.37 | Joback Calculated Property |
| Cp,gas | 781.92 | J/mol×K | 775.63 | Joback Calculated Property |
| Cp,gas | 797.62 | J/mol×K | 805.88 | Joback Calculated Property |
| Cp,gas | 812.46 | J/mol×K | 836.14 | Joback Calculated Property |
| Cp,gas | 826.46 | J/mol×K | 866.39 | Joback Calculated Property |
| Cp,gas | 839.64 | J/mol×K | 896.65 | Joback Calculated Property |
| Cp,gas | 852.02 | J/mol×K | 926.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, nonyl ester.
Sources
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