- InChI
- InChI=1S/C15H21NO4/c1-4-5-10-20-15(18)11(2)16-14(17)12-6-8-13(19-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)
- InChI Key
- AJYRJKIWTNARDY-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
CCCCOC(=O)C(C)NC(=O)c1ccc(OC)c
c1 - Molecular Weight1
- 279.33
- 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 | 0.7992 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.157 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | 2198.00 | NIST | |
| Tboil | 612.25 | K | Relay (1.0) Calculated Property |
| Tc | 830.88 | K | Relay (1.0) Calculated Property |
| Tfus | 347.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.30; 720.14] | J/mol×K | [776.57; 984.18] | 
|
| Cp,gas | 649.30 | J/mol×K | 776.57 | Joback Calculated Property |
| Cp,gas | 663.62 | J/mol×K | 811.17 | Joback Calculated Property |
| Cp,gas | 676.92 | J/mol×K | 845.77 | Joback Calculated Property |
| Cp,gas | 689.21 | J/mol×K | 880.38 | Joback Calculated Property |
| Cp,gas | 700.50 | J/mol×K | 914.98 | Joback Calculated Property |
| Cp,gas | 710.81 | J/mol×K | 949.58 | Joback Calculated Property |
| Cp,gas | 720.14 | J/mol×K | 984.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, butyl ester.
Sources
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