- InChI
- InChI=1S/C23H37NO3/c1-3-5-7-8-9-10-11-19-27-22(25)17-18-24-23(26)21-15-13-20(14-16-21)12-6-4-2/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)
- InChI Key
- ZGWSNVLLTRVKSD-UHFFFAOYSA-N
- Formula
- C23H37NO3
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1ccc(C
CCC)cc1 - Molecular Weight1
- 375.54
- 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 | 1.0967 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.443 | Crippen Calculated Property | |
| McVol | 330.160 | ml/mol | McGowan Calculated Property |
| Pc | 1120.05 | kPa | Joback Calculated Property |
| Inp | 3168.00 | NIST | |
| Tboil | 679.06 | K | Relay (1.0) Calculated Property |
| Tc | 896.73 | K | Relay (1.0) Calculated Property |
| Tfus | 319.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1089.26; 1171.00] | J/mol×K | [937.63; 1148.79] | 
|
| Cp,gas | 1089.26 | J/mol×K | 937.63 | Joback Calculated Property |
| Cp,gas | 1105.84 | J/mol×K | 972.82 | Joback Calculated Property |
| Cp,gas | 1121.17 | J/mol×K | 1008.02 | Joback Calculated Property |
| Cp,gas | 1135.30 | J/mol×K | 1043.21 | Joback Calculated Property |
| Cp,gas | 1148.28 | J/mol×K | 1078.41 | Joback Calculated Property |
| Cp,gas | 1160.16 | J/mol×K | 1113.60 | Joback Calculated Property |
| Cp,gas | 1171.00 | J/mol×K | 1148.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-butylbenzoyl)-, nonyl ester.
Sources
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