- InChI
- InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3
- InChI Key
- KDWQLICBSFIDRM-UHFFFAOYSA-N
- Formula
- C3H5F3
- SMILES
- CCC(F)(F)F
- Molecular Weight1
- 98.07
- CAS
- 421-07-8
- Other Names
-
- 1,1,1-trifluoropropane
- CH3CH2CF3
- 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).
- Pvap : Vapor 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 | 0.2482 | Relay (1.0) Calculated Property | |
| ΔfG° | -607.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 19.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.959 | Crippen Calculated Property | |
| McVol | 58.440 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Inp | 361.00 | NIST | |
| Tboil | 254.15 | K | Relay (1.0) Calculated Property |
| Tc | 394.60 | K | Relay (1.0) Calculated Property |
| Tfus | 131.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.223 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.26; 196.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.03900e+00 | |||
| Coefficient B | 4.50020e-01 | |||
| Coefficient C | -3.60400e-04 | |||
| Coefficient D | 1.13200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 92.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 130.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 145.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 158.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 168.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 177.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 184.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 191.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 196.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [189.49; 279.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41003e+01 | |||
| Coefficient B | -2.16710e+03 | |||
| Coefficient C | -3.26000e+01 | |||
| Temperature range, min. | 189.49 | |||
| Temperature range, max. | 279.18 | |||
| Pvap | 1.33 | kPa | 189.49 | Calculated Property |
| Pvap | 3.04 | kPa | 199.46 | Calculated Property |
| Pvap | 6.32 | kPa | 209.42 | Calculated Property |
| Pvap | 12.16 | kPa | 219.39 | Calculated Property |
| Pvap | 21.89 | kPa | 229.35 | Calculated Property |
| Pvap | 37.22 | kPa | 239.32 | Calculated Property |
| Pvap | 60.28 | kPa | 249.28 | Calculated Property |
| Pvap | 93.58 | kPa | 259.25 | Calculated Property |
| Pvap | 139.98 | kPa | 269.21 | Calculated Property |
| Pvap | 202.69 | kPa | 279.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,1-trifluoro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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