- InChI
- InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-29-24(27)20-21-26-25(28)23-18-15-14-16-19-23/h23H,2-22H2,1H3,(H,26,28)
- InChI Key
- LIDWLEXWMNSRNJ-UHFFFAOYSA-N
- Formula
- C25H47NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)C
1CCCCC1 - Molecular Weight1
- 409.65
- 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).
- 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 | 1.1145 | Relay (1.0) Calculated Property | |
| ΔfG° | -89.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.707 | Crippen Calculated Property | |
| McVol | 371.240 | ml/mol | McGowan Calculated Property |
| Pc | 923.30 | kPa | Joback Calculated Property |
| Tboil | 680.01 | K | Relay (1.0) Calculated Property |
| Tc | 901.28 | K | Relay (1.0) Calculated Property |
| Tfus | 345.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1312.05; 1406.32] | J/mol×K | [971.28; 1189.62] | 
|
| Cp,gas | 1312.05 | J/mol×K | 971.28 | Joback Calculated Property |
| Cp,gas | 1331.59 | J/mol×K | 1007.67 | Joback Calculated Property |
| Cp,gas | 1349.50 | J/mol×K | 1044.06 | Joback Calculated Property |
| Cp,gas | 1365.86 | J/mol×K | 1080.45 | Joback Calculated Property |
| Cp,gas | 1380.74 | J/mol×K | 1116.84 | Joback Calculated Property |
| Cp,gas | 1394.21 | J/mol×K | 1153.23 | Joback Calculated Property |
| Cp,gas | 1406.32 | J/mol×K | 1189.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, pentadecyl ester.
Sources
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