- InChI
- InChI=1S/C13H13F5O3/c1-2-3-4-20-5-6-21-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h2-6H2,1H3
- InChI Key
- DISSZLWHURWYTK-UHFFFAOYSA-N
- Formula
- C13H13F5O3
- SMILES
-
CCCCOCCOC(=O)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 312.23
- 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 | 0.7802 | Relay (1.0) Calculated Property | |
| ΔfG° | -1266.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1287.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.356 | Crippen Calculated Property | |
| McVol | 192.430 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | 1507.00 | NIST | |
| Tboil | 535.21 | K | Relay (1.0) Calculated Property |
| Tc | 718.87 | K | Relay (1.0) Calculated Property |
| Tfus | 241.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.49; 618.25] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.10025e+02 | |||
| Coefficient B | 8.03420e-01 | |||
| Coefficient C | -2.55800e-04 | |||
| Coefficient D | -3.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 309.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 360.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 407.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 450.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 524.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 580.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 601.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 618.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butoxyethyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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