- InChI
- InChI=1S/C17H6F10O4/c18-6-4(7(19)11(23)14(26)10(6)22)16(28)30-2-1-3-31-17(29)5-8(20)12(24)15(27)13(25)9(5)21/h1-3H2
- InChI Key
- WLUOMTVGHIINLA-UHFFFAOYSA-N
- Formula
- C17H6F10O4
- SMILES
-
O=C(OCCCOC(=O)c1c(F)c(F)c(F)c(
F)c1F)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 464.21
- 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 | 0.9636 | Relay (... Calculated Property | |
| ΔfG° | -2195.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2051.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 60.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | Relay (... Calculated Property |
| IE | 10.07 | eV | Relay (... Calculated Property |
| log10WS | -9.07 | Relay (... Calculated Property | |
| logPoct/wat | 4.482 | Crippen Calculated Property | |
| McVol | 235.450 | ml/mol | McGowan Calculated Property |
| Pc | 1375.82 | kPa | Joback Calculated Property |
| Inp | [1959.00; 1959.00] |
|
|
| Inp | 1959.00 | NIST | |
| Inp | 1959.00 | NIST | |
| Tboil | 597.81 | K | Relay (... Calculated Property |
| Tc | 795.80 | K | Relay (... Calculated Property |
| Tfus | 346.89 | K | Relay (... Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.61; 718.79] | J/mol×K | [836.80; 1025.90] |
|
| Cp,gas | 675.61 | J/mol×K | 836.80 | Joback Calculated Property |
| Cp,gas | 684.85 | J/mol×K | 868.32 | Joback Calculated Property |
| Cp,gas | 693.30 | J/mol×K | 899.83 | Joback Calculated Property |
| Cp,gas | 700.93 | J/mol×K | 931.35 | Joback Calculated Property |
| Cp,gas | 707.73 | J/mol×K | 962.86 | Joback Calculated Property |
| Cp,gas | 713.69 | J/mol×K | 994.38 | Joback Calculated Property |
| Cp,gas | 718.79 | J/mol×K | 1025.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate).
Sources
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