- InChI
- InChI=1S/C15H27NO3/c1-2-3-12-19-15(18)10-11-16-14(17)9-8-13-6-4-5-7-13/h13H,2-12H2,1H3,(H,16,17)
- InChI Key
- AZFKGAUNZXZOSJ-UHFFFAOYSA-N
- Formula
- C15H27NO3
- SMILES
- CCCCOC(=O)CCNC(=O)CCC1CCCC1
- Molecular Weight1
- 269.38
- 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 | 0.7798 | Relay (... Calculated Property | |
| ΔfG° | -161.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 230.340 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | 2149.00 | NIST | |
| Tboil | 613.53 | K | Relay (... Calculated Property |
| Tc | 812.97 | K | Relay (... Calculated Property |
| Tfus | 279.01 | K | Relay (... Calculated Property |
| Vc | 0.838 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.37; 787.52] | J/mol×K | [738.21; 933.63] | 
|
| Cp,gas | 699.37 | J/mol×K | 738.21 | Joback Calculated Property |
| Cp,gas | 716.54 | J/mol×K | 770.78 | Joback Calculated Property |
| Cp,gas | 732.68 | J/mol×K | 803.35 | Joback Calculated Property |
| Cp,gas | 747.81 | J/mol×K | 835.92 | Joback Calculated Property |
| Cp,gas | 761.98 | J/mol×K | 868.49 | Joback Calculated Property |
| Cp,gas | 775.20 | J/mol×K | 901.06 | Joback Calculated Property |
| Cp,gas | 787.52 | J/mol×K | 933.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-cyclopentylpropionyl)-, butyl ester.
Sources
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