- InChI
- InChI=1S/C17H21F5O5/c1-2-3-4-24-5-6-25-7-8-26-9-10-27-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h2-10H2,1H3
- InChI Key
- CGCMKWRUMYSZEB-UHFFFAOYSA-N
- Formula
- C17H21F5O5
- SMILES
-
CCCCOCCOCCOCCOC(=O)c1c(F)c(F)c
(F)c(F)c1F - Molecular Weight1
- 400.34
- 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 | 0.9980 | Relay (1.0) Calculated Property | |
| ΔfG° | -1442.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1619.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 260.530 | ml/mol | McGowan Calculated Property |
| Pc | 1218.29 | kPa | Joback Calculated Property |
| Inp | 2033.00 | NIST | |
| Tboil | 607.92 | K | Relay (1.0) Calculated Property |
| Tc | 783.20 | K | Relay (1.0) Calculated Property |
| Tfus | 241.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.98; 843.61] | J/mol×K | [761.97; 936.79] | 
|
| Cp,gas | 771.98 | J/mol×K | 761.97 | Joback Calculated Property |
| Cp,gas | 786.06 | J/mol×K | 791.11 | Joback Calculated Property |
| Cp,gas | 799.30 | J/mol×K | 820.24 | Joback Calculated Property |
| Cp,gas | 811.69 | J/mol×K | 849.38 | Joback Calculated Property |
| Cp,gas | 823.22 | J/mol×K | 878.52 | Joback Calculated Property |
| Cp,gas | 833.86 | J/mol×K | 907.65 | Joback Calculated Property |
| Cp,gas | 843.61 | J/mol×K | 936.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-(2-Butoxyethoxy)ethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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