- InChI
- InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
- InChI Key
- WFELVFKXQJYPSL-UHFFFAOYSA-N
- Formula
- C4ClF7O
- SMILES
- O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
- Molecular Weight1
- 232.48
- CAS
- 375-16-6
- Other Names
-
- Perfluorobutyryl chloride
- Butanoyl chloride, heptafluoro-
- 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).
- 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 | 0.3693 | Relay (1.0) Calculated Property | |
| ΔfG° | -1513.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1699.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 93.420 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Tboil | [311.50; 311.70] | K |
|
| Tboil | 311.50 ± 0.50 | K | NIST |
| Tboil | 311.70 | K | NIST |
| Tc | 453.62 | K | Relay (1.0) Calculated Property |
| Tfus | 196.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.94; 234.57] | J/mol×K | [367.42; 522.07] |
|
| Cp,gas | 193.94 | J/mol×K | 367.42 | Joback Calculated Property |
| Cp,gas | 202.21 | J/mol×K | 393.19 | Joback Calculated Property |
| Cp,gas | 209.85 | J/mol×K | 418.97 | Joback Calculated Property |
| Cp,gas | 216.87 | J/mol×K | 444.74 | Joback Calculated Property |
| Cp,gas | 223.31 | J/mol×K | 470.52 | Joback Calculated Property |
| Cp,gas | 229.20 | J/mol×K | 496.29 | Joback Calculated Property |
| Cp,gas | 234.57 | J/mol×K | 522.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyryl chloride.
Sources
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