- InChI
- InChI=1S/C16H23NO4/c1-4-5-6-10-21-16(19)12(2)17-15(18)13-8-7-9-14(11-13)20-3/h7-9,11-12H,4-6,10H2,1-3H3,(H,17,18)
- InChI Key
- BBRWJFVTPPAVAU-UHFFFAOYSA-N
- Formula
- C16H23NO4
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1cccc(OC
)c1 - Molecular Weight1
- 293.36
- 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 | 0.8335 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 237.400 | ml/mol | McGowan Calculated Property |
| Pc | 1849.92 | kPa | Joback Calculated Property |
| Inp | 2340.00 | NIST | |
| Tboil | 617.37 | K | Relay (1.0) Calculated Property |
| Tc | 842.61 | K | Relay (1.0) Calculated Property |
| Tfus | 334.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.23; 777.16] | J/mol×K | [799.45; 1005.61] | 
|
| Cp,gas | 705.23 | J/mol×K | 799.45 | Joback Calculated Property |
| Cp,gas | 719.81 | J/mol×K | 833.81 | Joback Calculated Property |
| Cp,gas | 733.34 | J/mol×K | 868.17 | Joback Calculated Property |
| Cp,gas | 745.82 | J/mol×K | 902.53 | Joback Calculated Property |
| Cp,gas | 757.27 | J/mol×K | 936.89 | Joback Calculated Property |
| Cp,gas | 767.71 | J/mol×K | 971.25 | Joback Calculated Property |
| Cp,gas | 777.16 | J/mol×K | 1005.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-anisoyl)-, pentyl ester.
Sources
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