- InChI
- InChI=1S/C28H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-37-28(36)26(19(2)3)34-27(35)20-21(29)23(31)25(33)24(32)22(20)30/h19,26H,4-18H2,1-3H3,(H,34,35)
- InChI Key
- YXVMDVKUMVXQQJ-UHFFFAOYSA-N
- Formula
- C28H42F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1c(F)c(F)c(F)c(F)c1F)C(C)C - Molecular Weight1
- 535.63
- 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 | 1.2613 | Relay (1.0) Calculated Property | |
| ΔfG° | -1003.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1596.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 409.460 | ml/mol | McGowan Calculated Property |
| Pc | 716.07 | kPa | Joback Calculated Property |
| Inp | [3078.00; 3078.00] |
|
|
| Inp | 3078.00 | NIST | |
| Inp | 3078.00 | NIST | |
| Tboil | 670.37 | K | Relay (1.0) Calculated Property |
| Tc | 886.64 | K | Relay (1.0) Calculated Property |
| Tfus | 385.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1431.63; 1508.83] | J/mol×K | [1067.42; 1338.81] |
|
| Cp,gas | 1431.63 | J/mol×K | 1067.42 | Joback Calculated Property |
| Cp,gas | 1449.86 | J/mol×K | 1112.65 | Joback Calculated Property |
| Cp,gas | 1465.80 | J/mol×K | 1157.88 | Joback Calculated Property |
| Cp,gas | 1479.56 | J/mol×K | 1203.11 | Joback Calculated Property |
| Cp,gas | 1491.26 | J/mol×K | 1248.35 | Joback Calculated Property |
| Cp,gas | 1500.98 | J/mol×K | 1293.58 | Joback Calculated Property |
| Cp,gas | 1508.83 | J/mol×K | 1338.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, hexadecyl ester.
Sources
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