- InChI
- InChI=1S/C5H10Cl2/c1-4(2)5(3,6)7/h4H,1-3H3
- InChI Key
- WIQMOFSSJHPXIK-UHFFFAOYSA-N
- Formula
- C5H10Cl2
- SMILES
- CC(C)C(C)(Cl)Cl
- Molecular Weight1
- 141.04
- CAS
- 17773-66-9
- Other Names
-
- 2,2-Dichloro-3-methylbutane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.2554 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 105.790 | ml/mol | McGowan Calculated Property |
| Pc | 3284.05 | kPa | Joback Calculated Property |
| Inp | [790.00; 796.00] |
|
|
| Inp | 790.00 | NIST | |
| Inp | 796.00 | NIST | |
| Tboil | 386.77 | K | Relay (1.0) Calculated Property |
| Tc | 588.88 | K | Relay (1.0) Calculated Property |
| Tfus | 223.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.59; 295.83] | 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 | -2.03000e+00 | |||
| Coefficient B | 6.24160e-01 | |||
| Coefficient C | -4.64000e-04 | |||
| Coefficient D | 1.37700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 234.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 250.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 295.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0136726; 0.0002999] | Pa×s | [193.37; 408.59] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15439e+01 | |||
| Coefficient B | 1.40224e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 193.37 | |||
| Temperature range, max. | 408.59 | |||
| η | 0.0136726 | Pa×s | 193.37 | Calculated Property |
| η | 0.0061553 | Pa×s | 217.28 | Calculated Property |
| η | 0.0032462 | Pa×s | 241.20 | Calculated Property |
| η | 0.0019215 | Pa×s | 265.11 | Calculated Property |
| η | 0.0012404 | Pa×s | 289.02 | Calculated Property |
| η | 0.0008562 | Pa×s | 312.94 | Calculated Property |
| η | 0.0006229 | Pa×s | 336.85 | Calculated Property |
| η | 0.0004727 | Pa×s | 360.76 | Calculated Property |
| η | 0.0003712 | Pa×s | 384.68 | Calculated Property |
| η | 0.0002999 | Pa×s | 408.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [333.32; 442.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.76655e+01 | |||
| Coefficient B | -4.68146e+03 | |||
| Coefficient C | -6.39290e+01 | |||
| Temperature range, min. | 333.32 | |||
| Temperature range, max. | 442.87 | |||
| Pvap | 1.33 | kPa | 333.32 | Calculated Property |
| Pvap | 2.83 | kPa | 345.49 | Calculated Property |
| Pvap | 5.63 | kPa | 357.66 | Calculated Property |
| Pvap | 10.61 | kPa | 369.84 | Calculated Property |
| Pvap | 19.06 | kPa | 382.01 | Calculated Property |
| Pvap | 32.79 | kPa | 394.18 | Calculated Property |
| Pvap | 54.27 | kPa | 406.35 | Calculated Property |
| Pvap | 86.77 | kPa | 418.53 | Calculated Property |
| Pvap | 134.49 | kPa | 430.70 | Calculated Property |
| Pvap | 202.65 | kPa | 442.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2,2-dichloro-3-methyl-.
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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