- InChI
- InChI=1S/C26H43NO3/c1-4-6-8-9-10-11-12-13-14-15-21-30-26(29)22(3)27-25(28)24-19-17-23(18-20-24)16-7-5-2/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
- InChI Key
- KIPISLLURSFBED-UHFFFAOYSA-N
- Formula
- C26H43NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1
ccc(CCCC)cc1 - Molecular Weight1
- 417.62
- 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 | 1.1539 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.612 | Crippen Calculated Property | |
| McVol | 372.430 | ml/mol | McGowan Calculated Property |
| Pc | 936.35 | kPa | Joback Calculated Property |
| Inp | [3227.00; 3227.00] |
|
|
| Inp | 3227.00 | NIST | |
| Inp | 3227.00 | NIST | |
| Tboil | 678.52 | K | Relay (1.0) Calculated Property |
| Tc | 906.68 | K | Relay (1.0) Calculated Property |
| Tfus | 339.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.386 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1275.93; 1360.14] | J/mol×K | [1005.83; 1232.32] |
|
| Cp,gas | 1275.93 | J/mol×K | 1005.83 | Joback Calculated Property |
| Cp,gas | 1293.41 | J/mol×K | 1043.58 | Joback Calculated Property |
| Cp,gas | 1309.41 | J/mol×K | 1081.33 | Joback Calculated Property |
| Cp,gas | 1324.01 | J/mol×K | 1119.08 | Joback Calculated Property |
| Cp,gas | 1337.28 | J/mol×K | 1156.83 | Joback Calculated Property |
| Cp,gas | 1349.30 | J/mol×K | 1194.57 | Joback Calculated Property |
| Cp,gas | 1360.14 | J/mol×K | 1232.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester.
Sources
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