- InChI
- InChI=1S/C21H33NO3/c1-3-5-7-8-9-17-25-20(23)15-16-22-21(24)19-13-11-18(12-14-19)10-6-4-2/h11-14H,3-10,15-17H2,1-2H3,(H,22,24)
- InChI Key
- ARQXGAOKIWWROC-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCCOC(=O)CCNC(=O)c1ccc(CCC
C)cc1 - Molecular Weight1
- 347.49
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -44.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.62 | kJ/mol | Joback Calculated Property |
| log10WS | -6.09 | Crippen Calculated Property | |
| logPoct/wat | 4.663 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | 2855.00 | NIST | |
| Tboil | 891.87 | K | Joback Calculated Property |
| Tc | 1097.18 | K | Joback Calculated Property |
| Tfus | 540.12 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.75; 1047.64] | J/mol×K | [891.87; 1097.18] | 
|
| Cp,gas | 967.75 | J/mol×K | 891.87 | Joback Calculated Property |
| Cp,gas | 983.80 | J/mol×K | 926.09 | Joback Calculated Property |
| Cp,gas | 998.70 | J/mol×K | 960.31 | Joback Calculated Property |
| Cp,gas | 1012.49 | J/mol×K | 994.52 | Joback Calculated Property |
| Cp,gas | 1025.22 | J/mol×K | 1028.74 | Joback Calculated Property |
| Cp,gas | 1036.92 | J/mol×K | 1062.96 | Joback Calculated Property |
| Cp,gas | 1047.64 | J/mol×K | 1097.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-butylbenzoyl)-, heptyl ester.
Sources
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