- InChI
- InChI=1S/C9H14BrClF2O2/c10-6-4-2-1-3-5-7-15-8(14)9(11,12)13/h1-7H2
- InChI Key
- BHEGXDUPLKVMPM-UHFFFAOYSA-N
- Formula
- C9H14BrClF2O2
- SMILES
- O=C(OCCCCCCCBr)C(F)(F)Cl
- Molecular Weight1
- 307.56
- 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° | -593.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.707 | Crippen Calculated Property | |
| McVol | 178.390 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [1494.00; 1494.00] |
|
|
| Inp | 1494.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Tboil | 580.51 | K | Joback Calculated Property |
| Tc | 765.94 | K | Joback Calculated Property |
| Tfus | 356.67 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.62; 473.24] | J/mol×K | [580.51; 765.94] |
|
| Cp,gas | 412.62 | J/mol×K | 580.51 | Joback Calculated Property |
| Cp,gas | 424.26 | J/mol×K | 611.42 | Joback Calculated Property |
| Cp,gas | 435.26 | J/mol×K | 642.32 | Joback Calculated Property |
| Cp,gas | 445.62 | J/mol×K | 673.23 | Joback Calculated Property |
| Cp,gas | 455.39 | J/mol×K | 704.13 | Joback Calculated Property |
| Cp,gas | 464.58 | J/mol×K | 735.04 | Joback Calculated Property |
| Cp,gas | 473.24 | J/mol×K | 765.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Bromo-1-heptanol, chlorodifluoroacetate.
Sources
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