- InChI
- InChI=1S/C29H49NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)25(3)30-28(31)27-22-20-26(5-2)21-23-27/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
- InChI Key
- CKQGDHGKTPPQOL-UHFFFAOYSA-N
- Formula
- C29H49NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)c1ccc(CC)cc1 - Molecular Weight1
- 459.70
- 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 | 1.2585 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 141.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.782 | Crippen Calculated Property | |
| McVol | 414.700 | ml/mol | McGowan Calculated Property |
| Pc | 790.82 | kPa | Joback Calculated Property |
| Inp | 3543.00 | NIST | |
| Tboil | 692.02 | K | Relay (1.0) Calculated Property |
| Tc | 926.25 | K | Relay (1.0) Calculated Property |
| Tfus | 343.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1465.98; 1553.95] | J/mol×K | [1074.47; 1326.16] | 
|
| Cp,gas | 1465.98 | J/mol×K | 1074.47 | Joback Calculated Property |
| Cp,gas | 1484.75 | J/mol×K | 1116.42 | Joback Calculated Property |
| Cp,gas | 1501.71 | J/mol×K | 1158.37 | Joback Calculated Property |
| Cp,gas | 1516.99 | J/mol×K | 1200.31 | Joback Calculated Property |
| Cp,gas | 1530.71 | J/mol×K | 1242.26 | Joback Calculated Property |
| Cp,gas | 1542.99 | J/mol×K | 1284.21 | Joback Calculated Property |
| Cp,gas | 1553.95 | J/mol×K | 1326.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester.
Sources
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