- InChI
- InChI=1S/C10H3F5O2/c1-2-3-17-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h1H,3H2
- InChI Key
- CHIDSPLDGZHPMC-UHFFFAOYSA-N
- Formula
- C10H3F5O2
- SMILES
-
C#CCOC(=O)c1c(F)c(F)c(F)c(F)c1
F - Molecular Weight1
- 250.12
- Other Names
-
- 2-propynyl pentaflurobenzoate
- 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° | -887.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 2.172 | Crippen Calculated Property | |
| McVol | 135.690 | ml/mol | McGowan Calculated Property |
| Pc | 2621.78 | kPa | Joback Calculated Property |
| Inp | [1107.00; 1161.00] |
|
|
| Inp | 1122.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1123.00 | NIST | |
| I | [1664.00; 1688.00] |
|
|
| I | 1688.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1682.00 | NIST | |
| Tboil | 542.54 | K | Joback Calculated Property |
| Tc | 725.57 | K | Joback Calculated Property |
| Tfus | 413.56 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.55; 346.06] | J/mol×K | [542.54; 725.57] |
|
| Cp,gas | 303.55 | J/mol×K | 542.54 | Joback Calculated Property |
| Cp,gas | 311.47 | J/mol×K | 573.05 | Joback Calculated Property |
| Cp,gas | 319.06 | J/mol×K | 603.55 | Joback Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 634.06 | Joback Calculated Property |
| Cp,gas | 333.24 | J/mol×K | 664.56 | Joback Calculated Property |
| Cp,gas | 339.82 | J/mol×K | 695.07 | Joback Calculated Property |
| Cp,gas | 346.06 | J/mol×K | 725.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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