- InChI
- InChI=1S/C29H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-24-33-29(32)25(3)30-28(31)27-22-20-26(21-23-27)19-7-5-2/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
- InChI Key
- PTPLVYOEOJGLJE-UHFFFAOYSA-N
- Formula
- C29H49NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O
)c1ccc(CCCC)cc1 - Molecular Weight1
- 459.70
- 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° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Joback Calculated Property |
| log10WS | -9.55 | Crippen 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 | 1074.47 | K | Joback Calculated Property |
| Tc | 1326.16 | K | Joback Calculated Property |
| Tfus | 615.28 | K | Joback Calculated Property |
| Vc | 1.611 | m3/kmol | Joback 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-butylbenzoyl)-, pentadecyl ester.
Sources
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