- InChI
- InChI=1S/C14H17F7O2/c1-9(2)5-4-6-10(3)7-8-23-11(22)12(15,16)13(17,18)14(19,20)21/h5,7H,4,6,8H2,1-3H3/b10-7-
- InChI Key
- NMYHVVFTLHEZBN-YFHOEESVSA-N
- Formula
- C14H17F7O2
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)C(F)(F)C
(F)(F)C(F)(F)F - Molecular Weight1
- 350.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1378.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1761.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 5.055 | Crippen Calculated Property | |
| McVol | 219.350 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | 1383.60 | NIST | |
| Tboil | 589.29 | K | Joback Calculated Property |
| Tc | 751.85 | K | Joback Calculated Property |
| Tfus | 293.01 | K | Joback Calculated Property |
| Vc | 0.898 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.53; 666.30] | J/mol×K | [589.29; 751.85] | 
|
| Cp,gas | 592.53 | J/mol×K | 589.29 | Joback Calculated Property |
| Cp,gas | 606.80 | J/mol×K | 616.38 | Joback Calculated Property |
| Cp,gas | 620.22 | J/mol×K | 643.48 | Joback Calculated Property |
| Cp,gas | 632.82 | J/mol×K | 670.57 | Joback Calculated Property |
| Cp,gas | 644.67 | J/mol×K | 697.66 | Joback Calculated Property |
| Cp,gas | 655.81 | J/mol×K | 724.75 | Joback Calculated Property |
| Cp,gas | 666.30 | J/mol×K | 751.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerol, heptafluorobutyrate.
Sources
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