- InChI
- InChI=1S/C20H9F18NO7/c21-14(22,23)5-44-10(40)7(39-11(41)15(24,25)18(30,31)32)3-6-1-2-8(45-12(42)16(26,27)19(33,34)35)9(4-6)46-13(43)17(28,29)20(36,37)38/h1-2,4,7H,3,5H2,(H,39,41)
- InChI Key
- GFFAEDKYDRYONH-UHFFFAOYSA-N
- Formula
- C20H9F18NO7
- SMILES
-
O=C(OCC(F)(F)F)C(Cc1ccc(OC(=O)
C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F )C(F)(F)F)c1)NC(=O)C(F)(F)C(F) (F)F - Molecular Weight1
- 717.26
- Other Names
-
- DOPA, TFE-PFP
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -4019.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4632.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 | kJ/mol | Joback Calculated Property |
| log10WS | -7.78 | Crippen Calculated Property | |
| logPoct/wat | 5.223 | Crippen Calculated Property | |
| McVol | 334.630 | ml/mol | McGowan Calculated Property |
| Pc | 922.74 | kPa | Joback Calculated Property |
| Inp | [1548.00; 1548.00] |
|
|
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Tboil | 990.36 | K | Joback Calculated Property |
| Tc | 1233.43 | K | Joback Calculated Property |
| Tfus | 698.25 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.93; 1158.69] | J/mol×K | [990.36; 1233.43] |
|
| Cp,gas | 1110.93 | J/mol×K | 990.36 | Joback Calculated Property |
| Cp,gas | 1119.70 | J/mol×K | 1030.87 | Joback Calculated Property |
| Cp,gas | 1127.81 | J/mol×K | 1071.38 | Joback Calculated Property |
| Cp,gas | 1135.52 | J/mol×K | 1111.90 | Joback Calculated Property |
| Cp,gas | 1143.07 | J/mol×K | 1152.41 | Joback Calculated Property |
| Cp,gas | 1150.71 | J/mol×K | 1192.92 | Joback Calculated Property |
| Cp,gas | 1158.69 | J/mol×K | 1233.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydroxyphenylalanine, TFE-PFP.
Sources
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