- InChI
- InChI=1S/C18H9F16NO5/c19-13(20,17(29,30)31)11(37)35-8(9(36)40-10(15(23,24)25)16(26,27)28)5-6-1-3-7(4-2-6)39-12(38)14(21,22)18(32,33)34/h1-4,8,10H,5H2,(H,35,37)
- InChI Key
- YJHBADMGEIKSNX-UHFFFAOYSA-N
- Formula
- C18H9F16NO5
- SMILES
-
O=C(OC(C(F)(F)F)C(F)(F)F)C(Cc1
ccc(OC(=O)C(F)(F)C(F)(F)F)cc1) NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 623.24
- Other Names
-
- Tyrosine, HFIP-PFP
- 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 | 0.9028 | Relay (... Calculated Property | |
| ΔfG° | -3408.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4163.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.46 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -7.89 | Relay (... Calculated Property | |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 295.470 | ml/mol | McGowan Calculated Property |
| Pc | 1073.57 | kPa | Joback Calculated Property |
| Inp | [1301.00; 1301.00] |
|
|
| Inp | 1301.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Tboil | 561.04 | K | Relay (... Calculated Property |
| Tc | 744.11 | K | Relay (... Calculated Property |
| Tfus | 374.96 | K | Relay (... Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.78; 1002.92] | J/mol×K | [867.58; 1063.01] |
|
| Cp,gas | 957.78 | J/mol×K | 867.58 | Joback Calculated Property |
| Cp,gas | 966.89 | J/mol×K | 900.15 | Joback Calculated Property |
| Cp,gas | 975.20 | J/mol×K | 932.72 | Joback Calculated Property |
| Cp,gas | 982.83 | J/mol×K | 965.29 | Joback Calculated Property |
| Cp,gas | 989.91 | J/mol×K | 997.87 | Joback Calculated Property |
| Cp,gas | 996.57 | J/mol×K | 1030.44 | Joback Calculated Property |
| Cp,gas | 1002.92 | J/mol×K | 1063.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tyr, HFIP-PFP.
Sources
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