- InChI
- InChI=1S/C3H2Cl3F3/c4-2(5,6)1-3(7,8)9/h1H2
- InChI Key
- MDNLZVVUMKSEKO-UHFFFAOYSA-N
- Formula
- C3H2Cl3F3
- SMILES
- FC(F)(F)CC(Cl)(Cl)Cl
- Molecular Weight1
- 201.40
- CAS
- 7125-84-0
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -1234.30 ± 0.92 | kJ/mol | NIST |
| ΔfG° | -640.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.30 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -830.65 ± 0.92 | kJ/mol | NIST |
| ΔfusH° | 10.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.80 ± 0.10 | kJ/mol | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 95.160 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 371.68 | K | Joback Calculated Property |
| Tc | 556.18 | K | Joback Calculated Property |
| Tfus | 219.94 | K | Joback Calculated Property |
| Ttriple | 232.69 ± 0.02 | K | NIST |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.67; 192.69] | J/mol×K | [371.68; 556.18] | 
|
| Cp,gas | 158.67 | J/mol×K | 371.68 | Joback Calculated Property |
| Cp,gas | 165.81 | J/mol×K | 402.43 | Joback Calculated Property |
| Cp,gas | 172.31 | J/mol×K | 433.18 | Joback Calculated Property |
| Cp,gas | 178.22 | J/mol×K | 463.93 | Joback Calculated Property |
| Cp,gas | 183.55 | J/mol×K | 494.68 | Joback Calculated Property |
| Cp,gas | 188.37 | J/mol×K | 525.43 | Joback Calculated Property |
| Cp,gas | 192.69 | J/mol×K | 556.18 | Joback Calculated Property |
| ΔfusH | 14.07 | kJ/mol | 232.70 | NIST |
| ΔvapH | 35.20 | kJ/mol | 342.50 | NIST |
Similar Compounds
Find more compounds similar to 1,1,1-Trichloro-3,3,3-trifluoropropane.
Sources
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