- InChI
- InChI=1S/C16H26F5NO3/c1-4-5-6-7-8-9-10-25-13(23)12(11(2)3)22-14(24)15(17,18)16(19,20)21/h11-12H,4-10H2,1-3H3,(H,22,24)
- InChI Key
- RIGBBRIOGMHQOH-UHFFFAOYSA-N
- Formula
- C16H26F5NO3
- SMILES
-
CCCCCCCCOC(=O)C(NC(=O)C(F)(F)C
(F)(F)F)C(C)C - Molecular Weight1
- 375.37
- 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 | 0.7946 | Relay (1.0) Calculated Property | |
| ΔfG° | -1162.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1851.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.228 | Crippen Calculated Property | |
| McVol | 264.140 | ml/mol | McGowan Calculated Property |
| Pc | 1272.78 | kPa | Joback Calculated Property |
| Inp | 1656.00 | NIST | |
| Tboil | 525.76 | K | Relay (1.0) Calculated Property |
| Tc | 681.88 | K | Relay (1.0) Calculated Property |
| Tfus | 329.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.18; 886.09] | J/mol×K | [734.82; 907.45] | 
|
| Cp,gas | 808.18 | J/mol×K | 734.82 | Joback Calculated Property |
| Cp,gas | 823.18 | J/mol×K | 763.59 | Joback Calculated Property |
| Cp,gas | 837.32 | J/mol×K | 792.36 | Joback Calculated Property |
| Cp,gas | 850.64 | J/mol×K | 821.13 | Joback Calculated Property |
| Cp,gas | 863.18 | J/mol×K | 849.90 | Joback Calculated Property |
| Cp,gas | 874.98 | J/mol×K | 878.68 | Joback Calculated Property |
| Cp,gas | 886.09 | J/mol×K | 907.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-pentafluoropropionyl-, octyl ester.
Sources
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