- InChI
- InChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-16-25-19(22)14-15-21-20(23)17-10-12-18(24-2)13-11-17/h10-13H,3-9,14-16H2,1-2H3,(H,21,23)
- InChI Key
- JZEHJCBVRWYXRS-UHFFFAOYSA-N
- Formula
- C20H31NO4
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1ccc(O
C)cc1 - Molecular Weight1
- 349.46
- 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° | -158.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.109 | Crippen Calculated Property | |
| McVol | 293.760 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | 2956.00 | NIST | |
| Tboil | 891.41 | K | Joback Calculated Property |
| Tc | 1096.98 | K | Joback Calculated Property |
| Tfus | 551.08 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.10; 1011.44] | J/mol×K | [891.41; 1096.98] | 
|
| Cp,gas | 937.10 | J/mol×K | 891.41 | Joback Calculated Property |
| Cp,gas | 952.40 | J/mol×K | 925.67 | Joback Calculated Property |
| Cp,gas | 966.51 | J/mol×K | 959.93 | Joback Calculated Property |
| Cp,gas | 979.43 | J/mol×K | 994.19 | Joback Calculated Property |
| Cp,gas | 991.21 | J/mol×K | 1028.45 | Joback Calculated Property |
| Cp,gas | 1001.87 | J/mol×K | 1062.71 | Joback Calculated Property |
| Cp,gas | 1011.44 | J/mol×K | 1096.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-methoxybenzoyl)-, nonyl ester.
Sources
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