- InChI
- InChI=1S/C30H49F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-30(35)25(2)33-29(34)27-24-26(31)21-22-28(27)32/h21-22,24-25H,3-20,23H2,1-2H3,(H,33,34)
- InChI Key
- VIBJOAHWKGKOQL-UHFFFAOYSA-N
- Formula
- C30H49F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)
NC(=O)c1cc(F)ccc1F - Molecular Weight1
- 509.71
- 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 | 1.3272 | Relay (1.0) Calculated Property | |
| ΔfG° | -370.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.668 | Crippen Calculated Property | |
| McVol | 432.330 | ml/mol | McGowan Calculated Property |
| Pc | 708.46 | kPa | Joback Calculated Property |
| Inp | 3532.00 | NIST | |
| Tboil | 695.64 | K | Relay (1.0) Calculated Property |
| Tc | 926.93 | K | Relay (1.0) Calculated Property |
| Tfus | 369.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.619 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1541.79; 1629.79] | J/mol×K | [1100.87; 1377.70] | 
|
| Cp,gas | 1541.79 | J/mol×K | 1100.87 | Joback Calculated Property |
| Cp,gas | 1561.38 | J/mol×K | 1147.01 | Joback Calculated Property |
| Cp,gas | 1578.80 | J/mol×K | 1193.15 | Joback Calculated Property |
| Cp,gas | 1594.19 | J/mol×K | 1239.28 | Joback Calculated Property |
| Cp,gas | 1607.71 | J/mol×K | 1285.42 | Joback Calculated Property |
| Cp,gas | 1619.52 | J/mol×K | 1331.56 | Joback Calculated Property |
| Cp,gas | 1629.79 | J/mol×K | 1377.70 | Joback Calculated Property |
Similar Compounds
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Sources
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