- InChI
- InChI=1S/C26H46F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-23(33)22(21(2)3)32-24(34)25(27,28)26(29,30)31/h21-22H,4-20H2,1-3H3,(H,32,34)
- InChI Key
- IVCBSNVFTOZHSI-UHFFFAOYSA-N
- Formula
- C26H46F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=
O)C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 515.64
- 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 | 1.1595 | Relay (1.0) Calculated Property | |
| ΔfG° | -1078.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2048.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.130 | Crippen Calculated Property | |
| McVol | 405.040 | ml/mol | McGowan Calculated Property |
| Pc | 706.21 | kPa | Joback Calculated Property |
| Inp | 2620.00 | NIST | |
| Tboil | 619.34 | K | Relay (1.0) Calculated Property |
| Tc | 778.14 | K | Relay (1.0) Calculated Property |
| Tfus | 358.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1413.61; 1520.59] | J/mol×K | [963.62; 1195.91] | 
|
| Cp,gas | 1413.61 | J/mol×K | 963.62 | Joback Calculated Property |
| Cp,gas | 1434.72 | J/mol×K | 1002.34 | Joback Calculated Property |
| Cp,gas | 1454.32 | J/mol×K | 1041.05 | Joback Calculated Property |
| Cp,gas | 1472.57 | J/mol×K | 1079.77 | Joback Calculated Property |
| Cp,gas | 1489.60 | J/mol×K | 1118.48 | Joback Calculated Property |
| Cp,gas | 1505.56 | J/mol×K | 1157.20 | Joback Calculated Property |
| Cp,gas | 1520.59 | J/mol×K | 1195.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-pentafluoropropionyl-, octadecyl ester.
Sources
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