- InChI
- InChI=1S/C18H30F5NO3/c1-4-5-6-7-8-9-10-11-12-27-15(25)14(13(2)3)24-16(26)17(19,20)18(21,22)23/h13-14H,4-12H2,1-3H3,(H,24,26)
- InChI Key
- CUQFTSBVZQBCFH-UHFFFAOYSA-N
- Formula
- C18H30F5NO3
- SMILES
-
CCCCCCCCCCOC(=O)C(NC(=O)C(F)(F
)C(F)(F)F)C(C)C - Molecular Weight1
- 403.43
- 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 | 0.8698 | Relay (1.0) Calculated Property | |
| ΔfG° | -1146.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1892.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.009 | Crippen Calculated Property | |
| McVol | 292.320 | ml/mol | McGowan Calculated Property |
| Pc | 1114.82 | kPa | Joback Calculated Property |
| Inp | 1849.00 | NIST | |
| Tboil | 547.97 | K | Relay (1.0) Calculated Property |
| Tc | 703.12 | K | Relay (1.0) Calculated Property |
| Tfus | 337.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.15; 1005.37] | J/mol×K | [780.58; 958.14] | 
|
| Cp,gas | 923.15 | J/mol×K | 780.58 | Joback Calculated Property |
| Cp,gas | 939.02 | J/mol×K | 810.17 | Joback Calculated Property |
| Cp,gas | 953.95 | J/mol×K | 839.77 | Joback Calculated Property |
| Cp,gas | 968.01 | J/mol×K | 869.36 | Joback Calculated Property |
| Cp,gas | 981.23 | J/mol×K | 898.95 | Joback Calculated Property |
| Cp,gas | 993.67 | J/mol×K | 928.55 | Joback Calculated Property |
| Cp,gas | 1005.37 | J/mol×K | 958.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-pentafluoropropionyl-, decyl ester.
Sources
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