- InChI
- InChI=1S/C15H20ClNO3/c1-20-15(19)13(11-12-7-3-2-4-8-12)17-14(18)9-5-6-10-16/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,17,18)
- InChI Key
- JMOWXKQIYNSZQF-UHFFFAOYSA-N
- Formula
- C15H20ClNO3
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)CCCCC
l - Molecular Weight1
- 297.78
- Other Names
-
- L-Phenylalanine, N-(5-hlrovaleryl)-, methyl ester
- 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° | -99.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 229.680 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | 2189.00 | NIST | |
| Tboil | 786.60 | K | Joback Calculated Property |
| Tc | 998.08 | K | Joback Calculated Property |
| Tfus | 474.90 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.87; 716.44] | J/mol×K | [786.60; 998.08] | 
|
| Cp,gas | 648.87 | J/mol×K | 786.60 | Joback Calculated Property |
| Cp,gas | 662.52 | J/mol×K | 821.85 | Joback Calculated Property |
| Cp,gas | 675.17 | J/mol×K | 857.09 | Joback Calculated Property |
| Cp,gas | 686.85 | J/mol×K | 892.34 | Joback Calculated Property |
| Cp,gas | 697.60 | J/mol×K | 927.59 | Joback Calculated Property |
| Cp,gas | 707.45 | J/mol×K | 962.84 | Joback Calculated Property |
| Cp,gas | 716.44 | J/mol×K | 998.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, N-(5-chlorovaleryl)-, methyl ester.
Sources
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