- InChI
- InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-9-10-11-18-26-21(24)16-17-23-22(25)20-14-12-19(2)13-15-20/h12-15H,3-11,16-18H2,1-2H3,(H,23,25)
- InChI Key
- NYKZGJGHVRINBU-UHFFFAOYSA-N
- Formula
- C22H35NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc
(C)cc1 - Molecular Weight1
- 361.52
- 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).
- 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 | 1.0620 | Relay (1.0) Calculated Property | |
| ΔfG° | -36.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.189 | Crippen Calculated Property | |
| McVol | 316.070 | ml/mol | McGowan Calculated Property |
| Pc | 1195.65 | kPa | Joback Calculated Property |
| Inp | 3051.00 | NIST | |
| Tboil | 672.90 | K | Relay (1.0) Calculated Property |
| Tc | 890.50 | K | Relay (1.0) Calculated Property |
| Tfus | 338.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.175 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.20; 1109.00] | J/mol×K | [914.75; 1122.55] | 
|
| Cp,gas | 1028.20 | J/mol×K | 914.75 | Joback Calculated Property |
| Cp,gas | 1044.50 | J/mol×K | 949.38 | Joback Calculated Property |
| Cp,gas | 1059.61 | J/mol×K | 984.02 | Joback Calculated Property |
| Cp,gas | 1073.57 | J/mol×K | 1018.65 | Joback Calculated Property |
| Cp,gas | 1086.42 | J/mol×K | 1053.28 | Joback Calculated Property |
| Cp,gas | 1098.21 | J/mol×K | 1087.91 | Joback Calculated Property |
| Cp,gas | 1109.00 | J/mol×K | 1122.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-methylbenzoyl)-, undecyl ester.
Sources
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