- InChI
- InChI=1S/C13H17F5O2/c1-9(2)5-4-6-10(3)7-8-20-11(19)12(14,15)13(16,17)18/h5,7H,4,6,8H2,1-3H3/b10-7-
- InChI Key
- DLUDNCVSBOUXAS-YFHOEESVSA-N
- Formula
- C13H17F5O2
- SMILES
-
CC(C)=CCCC(C)=CCOC(=O)C(F)(F)C
(F)(F)F - Molecular Weight1
- 300.26
- 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° | -1000.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1339.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.81 | Crippen Calculated Property | |
| logPoct/wat | 4.420 | Crippen Calculated Property | |
| McVol | 201.720 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| Inp | 1312.50 | NIST | |
| Tboil | 571.10 | K | Joback Calculated Property |
| Tc | 739.33 | K | Joback Calculated Property |
| Tfus | 278.14 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.83; 597.22] | J/mol×K | [571.10; 739.33] | 
|
| Cp,gas | 522.83 | J/mol×K | 571.10 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 599.14 | Joback Calculated Property |
| Cp,gas | 550.61 | J/mol×K | 627.18 | Joback Calculated Property |
| Cp,gas | 563.31 | J/mol×K | 655.22 | Joback Calculated Property |
| Cp,gas | 575.28 | J/mol×K | 683.25 | Joback Calculated Property |
| Cp,gas | 586.57 | J/mol×K | 711.29 | Joback Calculated Property |
| Cp,gas | 597.22 | J/mol×K | 739.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerol, pentafluoropropionate.
Sources
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