- InChI
- InChI=1S/C18H21NO3/c1-2-3-13-22-17(20)11-12-19-18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21)
- InChI Key
- LVBYLFSDSDOGMR-UHFFFAOYSA-N
- Formula
- C18H21NO3
- SMILES
-
CCCCOC(=O)CCNC(=O)c1cccc2ccccc
12 - Molecular Weight1
- 299.36
- 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° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.303 | Crippen Calculated Property | |
| McVol | 240.250 | ml/mol | McGowan Calculated Property |
| Pc | 1952.68 | kPa | Joback Calculated Property |
| Inp | 2647.00 | NIST | |
| Tboil | 842.21 | K | Joback Calculated Property |
| Tc | 1060.83 | K | Joback Calculated Property |
| Tfus | 539.01 | K | Joback Calculated Property |
| Vc | 0.922 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.35; 785.22] | J/mol×K | [842.21; 1060.83] | 
|
| Cp,gas | 716.35 | J/mol×K | 842.21 | Joback Calculated Property |
| Cp,gas | 730.08 | J/mol×K | 878.65 | Joback Calculated Property |
| Cp,gas | 742.81 | J/mol×K | 915.08 | Joback Calculated Property |
| Cp,gas | 754.63 | J/mol×K | 951.52 | Joback Calculated Property |
| Cp,gas | 765.60 | J/mol×K | 987.96 | Joback Calculated Property |
| Cp,gas | 775.77 | J/mol×K | 1024.40 | Joback Calculated Property |
| Cp,gas | 785.22 | J/mol×K | 1060.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(1-naphthoyl)-, butyl ester.
Sources
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