- InChI
- InChI=1S/C17H25NO3/c1-3-4-5-8-13-21-16(19)11-12-18-17(20)15-10-7-6-9-14(15)2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,18,20)
- InChI Key
- JACDKKSFUYFUAI-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
- CCCCCCOC(=O)CCNC(=O)c1ccccc1C
- Molecular Weight1
- 291.39
- 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° | -78.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.238 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Inp | 2354.00 | NIST | |
| Tboil | 800.35 | K | Joback Calculated Property |
| Tc | 1003.35 | K | Joback Calculated Property |
| Tfus | 495.04 | K | Joback Calculated Property |
| Vc | 0.945 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.33; 809.22] | J/mol×K | [800.35; 1003.35] | 
|
| Cp,gas | 733.33 | J/mol×K | 800.35 | Joback Calculated Property |
| Cp,gas | 748.41 | J/mol×K | 834.18 | Joback Calculated Property |
| Cp,gas | 762.47 | J/mol×K | 868.02 | Joback Calculated Property |
| Cp,gas | 775.56 | J/mol×K | 901.85 | Joback Calculated Property |
| Cp,gas | 787.69 | J/mol×K | 935.68 | Joback Calculated Property |
| Cp,gas | 798.90 | J/mol×K | 969.52 | Joback Calculated Property |
| Cp,gas | 809.22 | J/mol×K | 1003.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(2-methylbenzoyl)-, hexyl ester.
Sources
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