- InChI
- InChI=1S/C25H41NO3/c1-3-5-7-8-9-10-11-12-13-21-29-24(27)19-20-26-25(28)23-17-15-22(16-18-23)14-6-4-2/h15-18H,3-14,19-21H2,1-2H3,(H,26,28)
- InChI Key
- HDORCROQNXCDDX-UHFFFAOYSA-N
- Formula
- C25H41NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc
(CCCC)cc1 - Molecular Weight1
- 403.60
- 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 | 1.1683 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.223 | Crippen Calculated Property | |
| McVol | 358.340 | ml/mol | McGowan Calculated Property |
| Pc | 988.88 | kPa | Joback Calculated Property |
| Tboil | 692.29 | K | Relay (1.0) Calculated Property |
| Tc | 909.92 | K | Relay (1.0) Calculated Property |
| Tfus | 323.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.337 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.01; 1296.85] | J/mol×K | [983.39; 1204.19] | 
|
| Cp,gas | 1213.01 | J/mol×K | 983.39 | Joback Calculated Property |
| Cp,gas | 1230.24 | J/mol×K | 1020.19 | Joback Calculated Property |
| Cp,gas | 1246.07 | J/mol×K | 1056.99 | Joback Calculated Property |
| Cp,gas | 1260.58 | J/mol×K | 1093.79 | Joback Calculated Property |
| Cp,gas | 1273.84 | J/mol×K | 1130.59 | Joback Calculated Property |
| Cp,gas | 1285.91 | J/mol×K | 1167.39 | Joback Calculated Property |
| Cp,gas | 1296.85 | J/mol×K | 1204.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-butylbenzoyl)-, undecyl ester.
Sources
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