- InChI
- InChI=1S/C22H36F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-33-18(31)15-16-30-19(32)20(23,24)21(25,26)22(27,28)29/h2-17H2,1H3,(H,30,32)
- InChI Key
- YDKZHIHXGNPMQC-UHFFFAOYSA-N
- Formula
- C22H36F7NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)C
(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 495.51
- 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 | 1.1135 | Relay (1.0) Calculated Property | |
| ΔfG° | -1494.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2354.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.960 | Crippen Calculated Property | |
| McVol | 352.220 | ml/mol | McGowan Calculated Property |
| Pc | 832.42 | kPa | Joback Calculated Property |
| Inp | 2365.00 | NIST | |
| Tboil | 617.96 | K | Relay (1.0) Calculated Property |
| Tc | 744.86 | K | Relay (1.0) Calculated Property |
| Tfus | 316.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1177.07; 1269.09] | J/mol×K | [868.29; 1066.85] | 
|
| Cp,gas | 1177.07 | J/mol×K | 868.29 | Joback Calculated Property |
| Cp,gas | 1194.86 | J/mol×K | 901.38 | Joback Calculated Property |
| Cp,gas | 1211.53 | J/mol×K | 934.48 | Joback Calculated Property |
| Cp,gas | 1227.19 | J/mol×K | 967.57 | Joback Calculated Property |
| Cp,gas | 1241.94 | J/mol×K | 1000.67 | Joback Calculated Property |
| Cp,gas | 1255.88 | J/mol×K | 1033.76 | Joback Calculated Property |
| Cp,gas | 1269.09 | J/mol×K | 1066.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-heptafluorobutyryl-, pentadecyl ester.
Sources
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