- InChI
- InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
- InChI Key
- YZXSQDNPKVBDOG-UHFFFAOYSA-N
- Formula
- C3H6F2
- SMILES
- CC(C)(F)F
- Molecular Weight1
- 80.08
- CAS
- 420-45-1
- Other Names
-
- (CH3)2CF2
- 2,2-Difluoropropane
- Dimethyldifluoromethane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.2293 | Relay (1.0) Calculated Property | |
| ΔfG° | -412.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 2.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 20.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.42; 11.42] | eV |
|
| IE | 11.42 ± 0.02 | eV | NIST |
| IE | 11.42 ± 0.02 | eV | NIST |
| logPoct/wat | 1.661 | Crippen Calculated Property | |
| McVol | 56.670 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Inp | 370.00 | NIST | |
| Tboil | [272.00; 272.80] | K |
|
| Tboil | 272.00 | K | NIST |
| Tboil | 272.80 ± 1.00 | K | NIST |
| Tc | 403.46 | K | Relay (1.0) Calculated Property |
| Tfus | 168.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.228 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 25.60 | kJ/mol | 256.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.06; 189.71] | 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 | -1.21300e+01 | |||
| Coefficient B | 4.38240e-01 | |||
| Coefficient C | -3.44000e-04 | |||
| Coefficient D | 1.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 104.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 122.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 137.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 149.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 160.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 169.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 176.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 183.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 189.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 210.13] | kPa | [202.78; 291.06] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33174e+01 | |||
| Coefficient B | -1.81155e+03 | |||
| Coefficient C | -6.37540e+01 | |||
| Temperature range, min. | 202.78 | |||
| Temperature range, max. | 291.06 | |||
| Pvap | 1.33 | kPa | 202.78 | Calculated Property |
| Pvap | 3.15 | kPa | 212.59 | Calculated Property |
| Pvap | 6.68 | kPa | 222.40 | Calculated Property |
| Pvap | 12.98 | kPa | 232.21 | Calculated Property |
| Pvap | 23.46 | kPa | 242.02 | Calculated Property |
| Pvap | 39.85 | kPa | 251.82 | Calculated Property |
| Pvap | 64.24 | kPa | 261.63 | Calculated Property |
| Pvap | 98.98 | kPa | 271.44 | Calculated Property |
| Pvap | 146.69 | kPa | 281.25 | Calculated Property |
| Pvap | 210.13 | kPa | 291.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2,2-difluoro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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