- InChI
- InChI=1S/C14H19NO4/c1-4-9-19-14(17)10(2)15-13(16)11-5-7-12(18-3)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,15,16)
- InChI Key
- DQERPFAVOPCNLV-UHFFFAOYSA-N
- Formula
- C14H19NO4
- SMILES
-
CCCOC(=O)C(C)NC(=O)c1ccc(OC)cc
1 - Molecular Weight1
- 265.31
- 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 | 0.7573 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.767 | Crippen Calculated Property | |
| McVol | 209.220 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | 2105.00 | NIST | |
| Tboil | 606.59 | K | Relay (1.0) Calculated Property |
| Tc | 819.65 | K | Relay (1.0) Calculated Property |
| Tfus | 358.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.38; 663.87] | J/mol×K | [753.69; 963.31] | 
|
| Cp,gas | 594.38 | J/mol×K | 753.69 | Joback Calculated Property |
| Cp,gas | 608.39 | J/mol×K | 788.63 | Joback Calculated Property |
| Cp,gas | 621.42 | J/mol×K | 823.56 | Joback Calculated Property |
| Cp,gas | 633.47 | J/mol×K | 858.50 | Joback Calculated Property |
| Cp,gas | 644.55 | J/mol×K | 893.44 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 928.37 | Joback Calculated Property |
| Cp,gas | 663.87 | J/mol×K | 963.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, propyl ester.
Sources
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