- InChI
- InChI=1S/C13H17NO4/c1-4-18-13(16)9(2)14-12(15)10-5-7-11(17-3)8-6-10/h5-9H,4H2,1-3H3,(H,14,15)
- InChI Key
- NXDSRAXOGAUMGJ-UHFFFAOYSA-N
- Formula
- C13H17NO4
- SMILES
- CCOC(=O)C(C)NC(=O)c1ccc(OC)cc1
- Molecular Weight1
- 251.28
- 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 | 0.7113 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.377 | Crippen Calculated Property | |
| McVol | 195.130 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | [2014.00; 2014.00] |
|
|
| Inp | 2014.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Tboil | 598.14 | K | Relay (1.0) Calculated Property |
| Tc | 814.03 | K | Relay (1.0) Calculated Property |
| Tfus | 367.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.55; 608.35] | J/mol×K | [730.81; 942.95] |
|
| Cp,gas | 540.55 | J/mol×K | 730.81 | Joback Calculated Property |
| Cp,gas | 554.20 | J/mol×K | 766.17 | Joback Calculated Property |
| Cp,gas | 566.90 | J/mol×K | 801.52 | Joback Calculated Property |
| Cp,gas | 578.66 | J/mol×K | 836.88 | Joback Calculated Property |
| Cp,gas | 589.48 | J/mol×K | 872.24 | Joback Calculated Property |
| Cp,gas | 599.37 | J/mol×K | 907.59 | Joback Calculated Property |
| Cp,gas | 608.35 | J/mol×K | 942.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, ethyl ester.
Sources
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