- InChI
- InChI=1S/C7H6Cl2F4O4/c8-6(10,11)4(14)16-2-1-3-17-5(15)7(9,12)13/h1-3H2
- InChI Key
- CJRWBYULDAAFPD-UHFFFAOYSA-N
- Formula
- C7H6Cl2F4O4
- SMILES
-
O=C(OCCCOC(=O)C(F)(F)Cl)C(F)(F
)Cl - Molecular Weight1
- 301.02
- 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° | -1257.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1510.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.126 | Crippen Calculated Property | |
| McVol | 155.930 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Inp | 1160.00 | NIST | |
| Tboil | 577.62 | K | Joback Calculated Property |
| Tc | 759.58 | K | Joback Calculated Property |
| Tfus | 380.01 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.93; 410.62] | J/mol×K | [577.62; 759.58] | 
|
| Cp,gas | 366.93 | J/mol×K | 577.62 | Joback Calculated Property |
| Cp,gas | 375.58 | J/mol×K | 607.95 | Joback Calculated Property |
| Cp,gas | 383.65 | J/mol×K | 638.27 | Joback Calculated Property |
| Cp,gas | 391.17 | J/mol×K | 668.60 | Joback Calculated Property |
| Cp,gas | 398.16 | J/mol×K | 698.93 | Joback Calculated Property |
| Cp,gas | 404.63 | J/mol×K | 729.25 | Joback Calculated Property |
| Cp,gas | 410.62 | J/mol×K | 759.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, bis(chlorodifluoroacetate).
Sources
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