![2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate](/cid/10-306-0/2-Bis-2-2-3-3-4-4-4-heptafluorobutanoyl-amino-phenyl-heptafluorobutanoate.png "2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate")
- InChI
- InChI=1S/C18H4F21NO4/c19-10(20,13(25,26)16(31,32)33)7(41)40(8(42)11(21,22)14(27,28)17(34,35)36)5-3-1-2-4-6(5)44-9(43)12(23,24)15(29,30)18(37,38)39/h1-4H
- InChI Key
- YGJQDGTZSXQRCE-UHFFFAOYSA-N
- Formula
- C18H4F21NO4
- SMILES
-
O=C(Oc1ccccc1N(C(=O)C(F)(F)C(F
)(F)C(F)(F)F)C(=O)C(F)(F)C(F)( F)C(F)(F)F)C(F)(F)C(F)(F)C(F)( F)F - Molecular Weight1
- 697.20
- 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 | 0.9081 | Relay (1.0) Calculated Property | |
| ΔfG° | -4242.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4918.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.950 | Crippen Calculated Property | |
| McVol | 298.450 | ml/mol | McGowan Calculated Property |
| Pc | 956.14 | kPa | Joback Calculated Property |
| Inp | 1221.00 | NIST | |
| Tboil | 548.28 | K | Relay (1.0) Calculated Property |
| Tc | 722.12 | K | Relay (1.0) Calculated Property |
| Tfus | 378.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.99; 1006.63] | J/mol×K | [794.97; 973.74] | 
|
| Cp,gas | 964.99 | J/mol×K | 794.97 | Joback Calculated Property |
| Cp,gas | 973.52 | J/mol×K | 824.77 | Joback Calculated Property |
| Cp,gas | 981.23 | J/mol×K | 854.56 | Joback Calculated Property |
| Cp,gas | 988.24 | J/mol×K | 884.36 | Joback Calculated Property |
| Cp,gas | 994.72 | J/mol×K | 914.15 | Joback Calculated Property |
| Cp,gas | 1000.80 | J/mol×K | 943.95 | Joback Calculated Property |
| Cp,gas | 1006.63 | J/mol×K | 973.74 | Joback Calculated Property |
Similar Compounds
Sources
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