- InChI
- InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
- InChI Key
- MCRMUCXATQAAMN-OAHLLOKOSA-N
- Formula
- C17H17NO5
- SMILES
-
O=C(NC(Cc1ccc(O)cc1)C(=O)O)OCc
1ccccc1 - Molecular Weight1
- 315.32
- CAS
- 1164-16-5
- Other Names
-
- N-Cbz-L-tyrosine
- N-Carbobenzoxy-L-tyrosine
- L-Tyrosine, N-[(phenylmethoxy)carbonyl]-
- 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 | 0.9930 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.314 | Crippen Calculated Property | |
| McVol | 233.600 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 651.27 | K | Relay (1.0) Calculated Property |
| Tc | 999.36 | K | Relay (1.0) Calculated Property |
| Tfus | 401.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.86; 790.89] | J/mol×K | [994.41; 1229.96] | 
|
| Cp,gas | 732.86 | J/mol×K | 994.41 | Joback Calculated Property |
| Cp,gas | 743.33 | J/mol×K | 1033.67 | Joback Calculated Property |
| Cp,gas | 753.33 | J/mol×K | 1072.93 | Joback Calculated Property |
| Cp,gas | 762.97 | J/mol×K | 1112.19 | Joback Calculated Property |
| Cp,gas | 772.36 | J/mol×K | 1151.44 | Joback Calculated Property |
| Cp,gas | 781.63 | J/mol×K | 1190.70 | Joback Calculated Property |
| Cp,gas | 790.89 | J/mol×K | 1229.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Benzyloxycarbonyl-L-tyrosine.
Sources
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