- InChI
- InChI=1S/C27H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)23(3)28-26(29)25-20-18-24(5-2)19-21-25/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
- InChI Key
- ZZGOZBLQSXFELC-UHFFFAOYSA-N
- Formula
- C27H45NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O
)c1ccc(CC)cc1 - Molecular Weight1
- 431.65
- 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 | 1.1874 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.002 | Crippen Calculated Property | |
| McVol | 386.520 | ml/mol | McGowan Calculated Property |
| Pc | 883.67 | kPa | Joback Calculated Property |
| Inp | 3336.00 | NIST | |
| Tboil | 678.87 | K | Relay (1.0) Calculated Property |
| Tc | 913.80 | K | Relay (1.0) Calculated Property |
| Tfus | 340.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1338.91; 1424.23] | J/mol×K | [1028.71; 1262.34] | 
|
| Cp,gas | 1338.91 | J/mol×K | 1028.71 | Joback Calculated Property |
| Cp,gas | 1356.77 | J/mol×K | 1067.65 | Joback Calculated Property |
| Cp,gas | 1373.06 | J/mol×K | 1106.59 | Joback Calculated Property |
| Cp,gas | 1387.86 | J/mol×K | 1145.53 | Joback Calculated Property |
| Cp,gas | 1401.27 | J/mol×K | 1184.46 | Joback Calculated Property |
| Cp,gas | 1413.36 | J/mol×K | 1223.40 | Joback Calculated Property |
| Cp,gas | 1424.23 | J/mol×K | 1262.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester.
Sources
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