- InChI
- InChI=1S/C12H16N2O3/c1-8(15)14-11(12(17)13-2)7-9-3-5-10(16)6-4-9/h3-6,11,16H,7H2,1-2H3,(H,13,17)(H,14,15)
- InChI Key
- KHRMBHFDICMQHO-UHFFFAOYSA-N
- Formula
- C12H16N2O3
- SMILES
- CNC(=O)C(Cc1ccc(O)cc1)NC(C)=O
- Molecular Weight1
- 236.27
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.7713 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.185 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 3341.24 | kPa | Joback Calculated Property |
| Tboil | 591.42 | K | Relay (1.0) Calculated Property |
| Tc | 885.46 | K | Relay (1.0) Calculated Property |
| Tfus | 199.00 | K | Studies of heterogeneous interactions between N-acetyl-N'-methyl-L-a-amino acid amides and urea molecules in water at 298.15 K |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.60; 598.22] | J/mol×K | [788.90; 1014.84] | 
|
| Cp,gas | 536.60 | J/mol×K | 788.90 | Joback Calculated Property |
| Cp,gas | 548.36 | J/mol×K | 826.56 | Joback Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 864.21 | Joback Calculated Property |
| Cp,gas | 569.81 | J/mol×K | 901.87 | Joback Calculated Property |
| Cp,gas | 579.69 | J/mol×K | 939.53 | Joback Calculated Property |
| Cp,gas | 589.13 | J/mol×K | 977.18 | Joback Calculated Property |
| Cp,gas | 598.22 | J/mol×K | 1014.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-acetyl-N'-methyl-L-alpha-tyrosinamide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Studies of heterogeneous interactions between N-acetyl-N'-methyl-L-a-amino acid amides and urea molecules in water at 298.15 K
- Joback Method
- McGowan Method
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