- InChI
- InChI=1S/C18H28F7NO3/c1-4-5-6-7-8-9-10-11-29-14(27)13(12(2)3)26-15(28)16(19,20)17(21,22)18(23,24)25/h12-13H,4-11H2,1-3H3,(H,26,28)
- InChI Key
- MZBIKFHJDOTOOB-UHFFFAOYSA-N
- Formula
- C18H28F7NO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)C(F)(F)
C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 439.41
- 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 | 0.8693 | Relay (1.0) Calculated Property | |
| ΔfG° | -1532.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2280.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.254 | Crippen Calculated Property | |
| McVol | 295.860 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | 1786.00 | NIST | |
| Tboil | 546.39 | K | Relay (1.0) Calculated Property |
| Tc | 692.24 | K | Relay (1.0) Calculated Property |
| Tfus | 318.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [939.82; 1018.99] | J/mol×K | [775.89; 951.43] | 
|
| Cp,gas | 939.82 | J/mol×K | 775.89 | Joback Calculated Property |
| Cp,gas | 955.13 | J/mol×K | 805.15 | Joback Calculated Property |
| Cp,gas | 969.51 | J/mol×K | 834.40 | Joback Calculated Property |
| Cp,gas | 983.03 | J/mol×K | 863.66 | Joback Calculated Property |
| Cp,gas | 995.74 | J/mol×K | 892.91 | Joback Calculated Property |
| Cp,gas | 1007.71 | J/mol×K | 922.17 | Joback Calculated Property |
| Cp,gas | 1018.99 | J/mol×K | 951.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, nonyl ester.
Sources
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