- InChI
- InChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)
- InChI Key
- HOGIQTACRLIOHC-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CN(C)C(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 193.24
- CAS
- 17469-89-5
- Other Names
-
- Alanine, N,N-dimethyl-3-phenyl-, L-
- N,N-Dimethylphenylalanine
- Phenylalanine, N,N-dimethyl-
- 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).
- IE : Ionization energy (eV).
- 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).
- 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° | -3.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.44 | kJ/mol | Joback Calculated Property |
| IE | [7.70; 8.20] | eV |
|
| IE | 7.70 | eV | NIST |
| IE | 8.20 | eV | NIST |
| log10WS | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 1.244 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Tboil | 635.81 | K | Joback Calculated Property |
| Tc | 834.70 | K | Joback Calculated Property |
| Tfus | 368.37 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.86; 477.66] | J/mol×K | [635.81; 834.70] |
|
| Cp,gas | 412.86 | J/mol×K | 635.81 | Joback Calculated Property |
| Cp,gas | 425.54 | J/mol×K | 668.96 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 702.11 | Joback Calculated Property |
| Cp,gas | 448.52 | J/mol×K | 735.26 | Joback Calculated Property |
| Cp,gas | 458.91 | J/mol×K | 768.40 | Joback Calculated Property |
| Cp,gas | 468.60 | J/mol×K | 801.55 | Joback Calculated Property |
| Cp,gas | 477.66 | J/mol×K | 834.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Phenylalanine, N,N-dimethyl-.
Sources
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