- InChI
- InChI=1S/C14H27NO3/c1-4-5-6-7-8-11-18-13(16)9-10-15-14(17)12(2)3/h12H,4-11H2,1-3H3,(H,15,17)
- InChI Key
- ZTKFUAHTBBMCEA-UHFFFAOYSA-N
- Formula
- C14H27NO3
- SMILES
- CCCCCCCOC(=O)CCNC(=O)C(C)C
- Molecular Weight1
- 257.37
- 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 | 0.8065 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.662 | Crippen Calculated Property | |
| McVol | 227.110 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | [1908.00; 1908.00] |
|
|
| Inp | 1908.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Tboil | 563.79 | K | Relay (1.0) Calculated Property |
| Tc | 755.66 | K | Relay (1.0) Calculated Property |
| Tfus | 291.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.56; 735.48] | J/mol×K | [699.61; 880.88] |
|
| Cp,gas | 652.56 | J/mol×K | 699.61 | Joback Calculated Property |
| Cp,gas | 668.33 | J/mol×K | 729.82 | Joback Calculated Property |
| Cp,gas | 683.30 | J/mol×K | 760.03 | Joback Calculated Property |
| Cp,gas | 697.48 | J/mol×K | 790.25 | Joback Calculated Property |
| Cp,gas | 710.90 | J/mol×K | 820.46 | Joback Calculated Property |
| Cp,gas | 723.56 | J/mol×K | 850.67 | Joback Calculated Property |
| Cp,gas | 735.48 | J/mol×K | 880.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, heptyl ester.
Sources
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