- 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° | -1190.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1287.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.43 | 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 | 1727.46 | kPa | Joback Calculated Property |
| Inp | 1507.00 | NIST | |
| Tboil | 535.21 | K | Relay (1.0) Calculated Property |
| Tc | 716.32 | K | Relay (1.0) Calculated Property |
| Tfus | 242.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.36; 570.59] | J/mol×K | [643.48; 813.62] | 
|
| Cp,gas | 507.36 | J/mol×K | 643.48 | Joback Calculated Property |
| Cp,gas | 519.18 | J/mol×K | 671.84 | Joback Calculated Property |
| Cp,gas | 530.50 | J/mol×K | 700.19 | Joback Calculated Property |
| Cp,gas | 541.30 | J/mol×K | 728.55 | Joback Calculated Property |
| Cp,gas | 551.59 | J/mol×K | 756.91 | Joback Calculated Property |
| Cp,gas | 561.35 | J/mol×K | 785.26 | Joback Calculated Property |
| Cp,gas | 570.59 | J/mol×K | 813.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butoxyethyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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