- InChI
- InChI=1S/C22H35NO4/c1-3-4-5-6-7-8-9-10-11-18-27-21(24)16-17-23-22(25)19-12-14-20(26-2)15-13-19/h12-15H,3-11,16-18H2,1-2H3,(H,23,25)
- InChI Key
- GCXOEGHATBAOSC-UHFFFAOYSA-N
- Formula
- C22H35NO4
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc
(OC)cc1 - Molecular Weight1
- 377.52
- 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 | 1.1191 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.889 | Crippen Calculated Property | |
| McVol | 321.940 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Tboil | 683.84 | K | Relay (1.0) Calculated Property |
| Tc | 900.30 | K | Relay (1.0) Calculated Property |
| Tfus | 343.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1057.55; 1132.73] | J/mol×K | [937.17; 1148.38] | 
|
| Cp,gas | 1057.55 | J/mol×K | 937.17 | Joback Calculated Property |
| Cp,gas | 1073.28 | J/mol×K | 972.37 | Joback Calculated Property |
| Cp,gas | 1087.68 | J/mol×K | 1007.57 | Joback Calculated Property |
| Cp,gas | 1100.79 | J/mol×K | 1042.78 | Joback Calculated Property |
| Cp,gas | 1112.65 | J/mol×K | 1077.98 | Joback Calculated Property |
| Cp,gas | 1123.28 | J/mol×K | 1113.18 | Joback Calculated Property |
| Cp,gas | 1132.73 | J/mol×K | 1148.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-methoxybenzoyl)-, undecyl ester.
Sources
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