- InChI
- InChI=1S/C17H25NO3/c1-4-6-7-12-21-17(20)13(3)18-16(19)15-10-8-14(5-2)9-11-15/h8-11,13H,4-7,12H2,1-3H3,(H,18,19)
- InChI Key
- IXZURCQNPSXJAY-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1ccc(CC)
cc1 - Molecular Weight1
- 291.39
- 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 | 0.8126 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.101 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | 2327.00 | NIST | |
| Tboil | 608.55 | K | Relay (1.0) Calculated Property |
| Tc | 838.96 | K | Relay (1.0) Calculated Property |
| Tfus | 323.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.88; 810.35] | J/mol×K | [799.91; 1005.41] | 
|
| Cp,gas | 733.88 | J/mol×K | 799.91 | Joback Calculated Property |
| Cp,gas | 749.14 | J/mol×K | 834.16 | Joback Calculated Property |
| Cp,gas | 763.35 | J/mol×K | 868.41 | Joback Calculated Property |
| Cp,gas | 776.54 | J/mol×K | 902.66 | Joback Calculated Property |
| Cp,gas | 788.75 | J/mol×K | 936.91 | Joback Calculated Property |
| Cp,gas | 800.01 | J/mol×K | 971.16 | Joback Calculated Property |
| Cp,gas | 810.35 | J/mol×K | 1005.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester.
Sources
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