- InChI
- InChI=1S/C9H5ClF4O2/c10-9(13,14)8(15)16-4-5-1-2-6(11)7(12)3-5/h1-3H,4H2
- InChI Key
- NSHFCEVUGAOUBP-UHFFFAOYSA-N
- Formula
- C9H5ClF4O2
- SMILES
- O=C(OCc1ccc(F)c(F)c1)C(F)(F)Cl
- Molecular Weight1
- 256.58
- 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° | -904.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1069.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 2.840 | Crippen Calculated Property | |
| McVol | 140.670 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | [1191.00; 1191.00] |
|
|
| Inp | 1191.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Tboil | 549.53 | K | Joback Calculated Property |
| Tc | 744.04 | K | Joback Calculated Property |
| Tfus | 349.51 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.06; 366.62] | J/mol×K | [549.53; 744.04] |
|
| Cp,gas | 317.06 | J/mol×K | 549.53 | Joback Calculated Property |
| Cp,gas | 326.81 | J/mol×K | 581.95 | Joback Calculated Property |
| Cp,gas | 335.93 | J/mol×K | 614.37 | Joback Calculated Property |
| Cp,gas | 344.45 | J/mol×K | 646.79 | Joback Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 679.20 | Joback Calculated Property |
| Cp,gas | 359.77 | J/mol×K | 711.62 | Joback Calculated Property |
| Cp,gas | 366.62 | J/mol×K | 744.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Difluorobenzyl alcohol, chlorodifluoroacetate.
Sources
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