- InChI
- InChI=1S/C17H21F5O2/c1-3-4-5-6-7-8-9-10(2)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h10H,3-9H2,1-2H3
- InChI Key
- RMOYAZMJLBETSH-UHFFFAOYSA-N
- Formula
- C17H21F5O2
- SMILES
-
CCCCCCCCC(C)OC(=O)c1c(F)c(F)c(
F)c(F)c1F - Molecular Weight1
- 352.34
- 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° | -1053.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1445.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.70 | kJ/mol | Joback Calculated Property |
| log10WS | -7.25 | Crippen Calculated Property | |
| logPoct/wat | 5.678 | Crippen Calculated Property | |
| McVol | 242.920 | ml/mol | McGowan Calculated Property |
| Pc | 1308.01 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1745.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Tboil | 712.14 | K | Joback Calculated Property |
| Tc | 884.85 | K | Joback Calculated Property |
| Tfus | 430.48 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.66; 768.80] | J/mol×K | [712.14; 884.85] |
|
| Cp,gas | 692.66 | J/mol×K | 712.14 | Joback Calculated Property |
| Cp,gas | 707.10 | J/mol×K | 740.92 | Joback Calculated Property |
| Cp,gas | 720.83 | J/mol×K | 769.71 | Joback Calculated Property |
| Cp,gas | 733.86 | J/mol×K | 798.49 | Joback Calculated Property |
| Cp,gas | 746.19 | J/mol×K | 827.28 | Joback Calculated Property |
| Cp,gas | 757.84 | J/mol×K | 856.06 | Joback Calculated Property |
| Cp,gas | 768.80 | J/mol×K | 884.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Decan-2-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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