- InChI
- InChI=1S/C9H7ClF2O2/c10-9(11,12)8(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- FMBDRDJDLSYKAV-UHFFFAOYSA-N
- Formula
- C9H7ClF2O2
- SMILES
- O=C(OCc1ccccc1)C(F)(F)Cl
- Molecular Weight1
- 220.60
- 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° | -495.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.561 | Crippen Calculated Property | |
| McVol | 137.130 | ml/mol | McGowan Calculated Property |
| Pc | 3042.32 | kPa | Joback Calculated Property |
| Inp | [1177.00; 1177.00] |
|
|
| Inp | 1177.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Tboil | 541.03 | K | Joback Calculated Property |
| Tc | 753.37 | K | Joback Calculated Property |
| Tfus | 323.29 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.70; 358.61] | J/mol×K | [541.03; 753.37] |
|
| Cp,gas | 301.70 | J/mol×K | 541.03 | Joback Calculated Property |
| Cp,gas | 313.14 | J/mol×K | 576.42 | Joback Calculated Property |
| Cp,gas | 323.75 | J/mol×K | 611.81 | Joback Calculated Property |
| Cp,gas | 333.56 | J/mol×K | 647.20 | Joback Calculated Property |
| Cp,gas | 342.61 | J/mol×K | 682.59 | Joback Calculated Property |
| Cp,gas | 350.95 | J/mol×K | 717.98 | Joback Calculated Property |
| Cp,gas | 358.61 | J/mol×K | 753.37 | Joback Calculated Property |
Similar Compounds
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Sources
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