- InChI
- InChI=1S/C21H33NO3/c1-4-6-7-8-9-10-11-16-25-21(24)17(3)22-20(23)19-14-12-18(5-2)13-15-19/h12-15,17H,4-11,16H2,1-3H3,(H,22,23)
- InChI Key
- XNRVZSHIVHWFHC-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCCCCOC(=O)C(C)NC(=O)c1ccc
(CC)cc1 - Molecular Weight1
- 347.49
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -47.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 4.661 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 891.43 | K | Joback Calculated Property |
| Tc | 1097.95 | K | Joback Calculated Property |
| Tfus | 525.12 | K | Joback Calculated Property |
| Vc | 1.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.24; 1048.17] | J/mol×K | [891.43; 1097.95] | 
|
| Cp,gas | 968.24 | J/mol×K | 891.43 | Joback Calculated Property |
| Cp,gas | 984.36 | J/mol×K | 925.85 | Joback Calculated Property |
| Cp,gas | 999.30 | J/mol×K | 960.27 | Joback Calculated Property |
| Cp,gas | 1013.11 | J/mol×K | 994.69 | Joback Calculated Property |
| Cp,gas | 1025.83 | J/mol×K | 1029.11 | Joback Calculated Property |
| Cp,gas | 1037.50 | J/mol×K | 1063.53 | Joback Calculated Property |
| Cp,gas | 1048.17 | J/mol×K | 1097.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, nonyl ester.
Sources
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