- InChI
- InChI=1S/C14H16F2O2/c15-12-7-6-11(8-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
- InChI Key
- BMCIIJGMGABYOH-UHFFFAOYSA-N
- Formula
- C14H16F2O2
- SMILES
- O=C(OCC1CCCCC1)c1ccc(F)c(F)c1
- Molecular Weight1
- 254.27
- 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° | -438.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 184.480 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1725.00] |
|
|
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Tboil | 650.74 | K | Joback Calculated Property |
| Tc | 866.72 | K | Joback Calculated Property |
| Tfus | 379.72 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.07; 588.36] | J/mol×K | [650.74; 866.72] |
|
| Cp,gas | 501.07 | J/mol×K | 650.74 | Joback Calculated Property |
| Cp,gas | 518.37 | J/mol×K | 686.74 | Joback Calculated Property |
| Cp,gas | 534.54 | J/mol×K | 722.73 | Joback Calculated Property |
| Cp,gas | 549.59 | J/mol×K | 758.73 | Joback Calculated Property |
| Cp,gas | 563.57 | J/mol×K | 794.73 | Joback Calculated Property |
| Cp,gas | 576.48 | J/mol×K | 830.72 | Joback Calculated Property |
| Cp,gas | 588.36 | J/mol×K | 866.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzoic acid, cyclohexylmethyl ester.
Sources
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