- InChI
- InChI=1S/C21H9F20NO7/c1-42(10(43)14(22,23)18(30,31)32)5-9(49-13(46)17(28,29)21(39,40)41)6-2-3-7(47-11(44)15(24,25)19(33,34)35)8(4-6)48-12(45)16(26,27)20(36,37)38/h2-4,9H,5H2,1H3
- InChI Key
- DQHPORNTYPSWLW-UHFFFAOYSA-N
- Formula
- C21H9F20NO7
- SMILES
-
CN(CC(OC(=O)C(F)(F)C(F)(F)F)c1
ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC (=O)C(F)(F)C(F)(F)F)c1)C(=O)C( F)(F)C(F)(F)F - Molecular Weight1
- 767.27
- 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° | -4376.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5040.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.10 | kJ/mol | Joback Calculated Property |
| log10WS | -8.24 | Crippen Calculated Property | |
| logPoct/wat | 6.330 | Crippen Calculated Property | |
| McVol | 352.260 | ml/mol | McGowan Calculated Property |
| Pc | 828.59 | kPa | Joback Calculated Property |
| Inp | [1540.00; 1540.00] |
|
|
| Inp | 1540.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Tboil | 970.82 | K | Joback Calculated Property |
| Tc | 1213.39 | K | Joback Calculated Property |
| Tfus | 692.93 | K | Joback Calculated Property |
| Vc | 1.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1174.43; 1228.68] | J/mol×K | [970.82; 1213.39] |
|
| Cp,gas | 1174.43 | J/mol×K | 970.82 | Joback Calculated Property |
| Cp,gas | 1184.03 | J/mol×K | 1011.25 | Joback Calculated Property |
| Cp,gas | 1193.01 | J/mol×K | 1051.68 | Joback Calculated Property |
| Cp,gas | 1201.68 | J/mol×K | 1092.11 | Joback Calculated Property |
| Cp,gas | 1210.31 | J/mol×K | 1132.53 | Joback Calculated Property |
| Cp,gas | 1219.22 | J/mol×K | 1172.96 | Joback Calculated Property |
| Cp,gas | 1228.68 | J/mol×K | 1213.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-.
Sources
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