- InChI
- InChI=1S/C15H21NO3/c1-15(2,3)14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)
- InChI Key
- HKQYJNOOHJMWEY-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
-
COC(=O)C(Cc1ccccc1)NC(=O)C(C)(
C)C - Molecular Weight1
- 263.33
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6068 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.933 | Crippen Calculated Property | |
| McVol | 217.440 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [1772.00; 1772.00] |
|
|
| Inp | 1772.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Tboil | 572.16 | K | Relay (1.0) Calculated Property |
| Tc | 803.31 | K | Relay (1.0) Calculated Property |
| Tfus | 333.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.13; 700.70] | J/mol×K | [745.94; 963.54] |
|
| Cp,gas | 625.13 | J/mol×K | 745.94 | Joback Calculated Property |
| Cp,gas | 640.33 | J/mol×K | 782.21 | Joback Calculated Property |
| Cp,gas | 654.41 | J/mol×K | 818.47 | Joback Calculated Property |
| Cp,gas | 667.43 | J/mol×K | 854.74 | Joback Calculated Property |
| Cp,gas | 679.44 | J/mol×K | 891.01 | Joback Calculated Property |
| Cp,gas | 690.51 | J/mol×K | 927.28 | Joback Calculated Property |
| Cp,gas | 700.70 | J/mol×K | 963.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, N-pivaloyl-, methyl ester.
Sources
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