- InChI
- InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-15-25-20(23)16(2)21-19(22)17-11-13-18(24-3)14-12-17/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)
- InChI Key
- BEHYMOZOUKPLPJ-UHFFFAOYSA-N
- Formula
- C20H31NO4
- SMILES
-
CCCCCCCCCOC(=O)C(C)NC(=O)c1ccc
(OC)cc1 - Molecular Weight1
- 349.46
- 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 | 0.9965 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.107 | Crippen Calculated Property | |
| McVol | 293.760 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 876.27 | K | Relay (1.0) Calculated Property |
| Tfus | 353.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.60; 1011.95] | J/mol×K | [890.97; 1097.78] |
|
| Cp,gas | 937.60 | J/mol×K | 890.97 | Joback Calculated Property |
| Cp,gas | 952.96 | J/mol×K | 925.44 | Joback Calculated Property |
| Cp,gas | 967.11 | J/mol×K | 959.91 | Joback Calculated Property |
| Cp,gas | 980.05 | J/mol×K | 994.38 | Joback Calculated Property |
| Cp,gas | 991.82 | J/mol×K | 1028.85 | Joback Calculated Property |
| Cp,gas | 1002.44 | J/mol×K | 1063.31 | Joback Calculated Property |
| Cp,gas | 1011.95 | J/mol×K | 1097.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, nonyl ester.
Sources
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