- InChI
- InChI=1S/C15H9F5O2/c16-10-9(11(17)13(19)14(20)12(10)18)15(21)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- ZGQUWVXUEJTWJW-UHFFFAOYSA-N
- Formula
- C15H9F5O2
- SMILES
-
O=C(OCCc1ccccc1)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 316.22
- Other Names
-
- Benzoic acid, pentafluoro, 2-phenylethyl ester
- 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.
- I : 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° | -955.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1162.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 3.782 | Crippen Calculated Property | |
| McVol | 190.980 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1680.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1666.00 | NIST | |
| Inp | 1662.00 | NIST | |
| I | [2252.00; 2276.00] |
|
|
| I | 2259.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2271.00 | NIST | |
| I | 2276.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2252.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2259.00 | NIST | |
| I | 2252.00 | NIST | |
| Tboil | 693.50 | K | Joback Calculated Property |
| Tc | 889.74 | K | Joback Calculated Property |
| Tfus | 449.36 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.51; 561.17] | J/mol×K | [693.50; 889.74] |
|
| Cp,gas | 501.51 | J/mol×K | 693.50 | Joback Calculated Property |
| Cp,gas | 513.26 | J/mol×K | 726.21 | Joback Calculated Property |
| Cp,gas | 524.28 | J/mol×K | 758.91 | Joback Calculated Property |
| Cp,gas | 534.56 | J/mol×K | 791.62 | Joback Calculated Property |
| Cp,gas | 544.13 | J/mol×K | 824.33 | Joback Calculated Property |
| Cp,gas | 553.00 | J/mol×K | 857.03 | Joback Calculated Property |
| Cp,gas | 561.17 | J/mol×K | 889.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylethyl pentafluorobenzoate.
Sources
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