- InChI
- InChI=1S/C9H6ClF9O4/c10-7(13,14)5(21)23-3-1-2-22-4(20)6(11,12)8(15,16)9(17,18)19/h1-3H2
- InChI Key
- INOCPNWOMFYNAG-UHFFFAOYSA-N
- Formula
- C9H6ClF9O4
- SMILES
-
O=C(OCCCOC(=O)C(F)(F)C(F)(F)C(
F)(F)F)C(F)(F)Cl - Molecular Weight1
- 384.58
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6332 | Relay (1.0) Calculated Property | |
| ΔfG° | -2196.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2623.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.127 | Crippen Calculated Property | |
| McVol | 180.720 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | [1060.00; 1060.00] |
|
|
| Inp | 1060.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Tboil | 446.61 | K | Relay (1.0) Calculated Property |
| Tc | 574.62 | K | Relay (1.0) Calculated Property |
| Tfus | 258.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.75; 531.67] | J/mol×K | [575.84; 733.77] |
|
| Cp,gas | 482.75 | J/mol×K | 575.84 | Joback Calculated Property |
| Cp,gas | 492.49 | J/mol×K | 602.16 | Joback Calculated Property |
| Cp,gas | 501.55 | J/mol×K | 628.48 | Joback Calculated Property |
| Cp,gas | 509.96 | J/mol×K | 654.81 | Joback Calculated Property |
| Cp,gas | 517.76 | J/mol×K | 681.13 | Joback Calculated Property |
| Cp,gas | 524.99 | J/mol×K | 707.45 | Joback Calculated Property |
| Cp,gas | 531.67 | J/mol×K | 733.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, O-chlorodifluoroacetate-O'-heptafluorobutyrate-.
Sources
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