- InChI
- InChI=1S/C11H21NO3/c1-3-5-6-7-10(13)12-9-8-11(14)15-4-2/h3-9H2,1-2H3,(H,12,13)
- InChI Key
- CIQIHYXHUNFHDW-UHFFFAOYSA-N
- Formula
- C11H21NO3
- SMILES
- CCCCCC(=O)NCCC(=O)OCC
- Molecular Weight1
- 215.29
- 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 | 0.7220 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.636 | Crippen Calculated Property | |
| McVol | 184.840 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1673.00] |
|
|
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 545.90 | K | Relay (1.0) Calculated Property |
| Tc | 732.53 | K | Relay (1.0) Calculated Property |
| Tfus | 287.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.13; 566.52] | J/mol×K | [631.41; 812.70] |
|
| Cp,gas | 492.13 | J/mol×K | 631.41 | Joback Calculated Property |
| Cp,gas | 506.14 | J/mol×K | 661.63 | Joback Calculated Property |
| Cp,gas | 519.50 | J/mol×K | 691.84 | Joback Calculated Property |
| Cp,gas | 532.20 | J/mol×K | 722.06 | Joback Calculated Property |
| Cp,gas | 544.27 | J/mol×K | 752.27 | Joback Calculated Property |
| Cp,gas | 555.70 | J/mol×K | 782.49 | Joback Calculated Property |
| Cp,gas | 566.52 | J/mol×K | 812.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-caproyl-, ethyl ester.
Sources
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