- InChI
- InChI=1S/C14H20F7NO3/c1-4-5-6-7-25-10(23)9(8(2)3)22-11(24)12(15,16)13(17,18)14(19,20)21/h8-9H,4-7H2,1-3H3,(H,22,24)
- InChI Key
- RVLMKKYQGZADTK-UHFFFAOYSA-N
- Formula
- C14H20F7NO3
- SMILES
-
CCCCCOC(=O)C(NC(=O)C(F)(F)C(F)
(F)C(F)(F)F)C(C)C - Molecular Weight1
- 383.30
- 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 | 0.7192 | Relay (1.0) Calculated Property | |
| ΔfG° | -1566.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2206.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| McVol | 239.500 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | 1423.00 | NIST | |
| Tboil | 498.50 | K | Relay (1.0) Calculated Property |
| Tc | 649.20 | K | Relay (1.0) Calculated Property |
| Tfus | 306.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.56; 785.74] | J/mol×K | [684.37; 850.86] | 
|
| Cp,gas | 715.56 | J/mol×K | 684.37 | Joback Calculated Property |
| Cp,gas | 729.16 | J/mol×K | 712.12 | Joback Calculated Property |
| Cp,gas | 741.94 | J/mol×K | 739.87 | Joback Calculated Property |
| Cp,gas | 753.94 | J/mol×K | 767.61 | Joback Calculated Property |
| Cp,gas | 765.22 | J/mol×K | 795.36 | Joback Calculated Property |
| Cp,gas | 775.80 | J/mol×K | 823.11 | Joback Calculated Property |
| Cp,gas | 785.74 | J/mol×K | 850.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, pentyl ester.
Sources
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