- InChI
- InChI=1S/C13H12F2O2/c1-3-6-9(4-2)17-13(16)12-10(14)7-5-8-11(12)15/h5,7-9H,4H2,1-2H3
- InChI Key
- MRLUKPZMKZZDKY-UHFFFAOYSA-N
- Formula
- C13H12F2O2
- SMILES
- CC#CC(CC)OC(=O)c1c(F)cccc1F
- Molecular Weight1
- 238.23
- 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.
- 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° | -271.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 2.923 | Crippen Calculated Property | |
| McVol | 172.650 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Inp | [1549.50; 1549.50] |
|
|
| Inp | 1549.50 | NIST | |
| Inp | 1549.50 | NIST | |
| Tboil | 616.87 | K | Joback Calculated Property |
| Tc | 829.53 | K | Joback Calculated Property |
| Tfus | 452.17 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.72; 488.85] | J/mol×K | [616.87; 829.53] |
|
| Cp,gas | 418.72 | J/mol×K | 616.87 | Joback Calculated Property |
| Cp,gas | 432.30 | J/mol×K | 652.31 | Joback Calculated Property |
| Cp,gas | 445.10 | J/mol×K | 687.76 | Joback Calculated Property |
| Cp,gas | 457.14 | J/mol×K | 723.20 | Joback Calculated Property |
| Cp,gas | 468.44 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 479.01 | J/mol×K | 794.09 | Joback Calculated Property |
| Cp,gas | 488.85 | J/mol×K | 829.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester.
Sources
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