- InChI
- InChI=1S/C13H16F2O2/c1-4-5-9(3)17-13(16)11-10(14)7-6-8(2)12(11)15/h6-7,9H,4-5H2,1-3H3
- InChI Key
- QCNOMFNXDSXBRC-UHFFFAOYSA-N
- Formula
- C13H16F2O2
- SMILES
- CCCC(C)OC(=O)c1c(F)ccc(C)c1F
- Molecular Weight1
- 242.26
- 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° | -483.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.619 | Crippen Calculated Property | |
| McVol | 181.250 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | 1517.00 | NIST | |
| Tboil | 612.85 | K | Joback Calculated Property |
| Tc | 804.91 | K | Joback Calculated Property |
| Tfus | 358.59 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.91; 533.24] | J/mol×K | [612.85; 804.91] | 
|
| Cp,gas | 458.91 | J/mol×K | 612.85 | Joback Calculated Property |
| Cp,gas | 473.01 | J/mol×K | 644.86 | Joback Calculated Property |
| Cp,gas | 486.42 | J/mol×K | 676.87 | Joback Calculated Property |
| Cp,gas | 499.14 | J/mol×K | 708.88 | Joback Calculated Property |
| Cp,gas | 511.18 | J/mol×K | 740.89 | Joback Calculated Property |
| Cp,gas | 522.54 | J/mol×K | 772.90 | Joback Calculated Property |
| Cp,gas | 533.24 | J/mol×K | 804.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester.
Sources
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