- InChI
- InChI=1S/C5H10Cl2/c1-5(4-7)2-3-6/h5H,2-4H2,1H3
- InChI Key
- OUSZUUNUORQHDW-UHFFFAOYSA-N
- Formula
- C5H10Cl2
- SMILES
- CC(CCl)CCCl
- Molecular Weight1
- 141.04
- CAS
- 623-34-7
- Other Names
-
- 1,4-Dichloro-2-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 | 0.3502 | Relay (1.0) Calculated Property | |
| ΔfG° | -35.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 105.790 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [908.00; 912.00] |
|
|
| Inp | 908.00 | NIST | |
| Inp | 912.00 | NIST | |
| Tboil | 423.39 | K | Relay (1.0) Calculated Property |
| Tc | 625.14 | K | Relay (1.0) Calculated Property |
| Tfus | 182.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.05; 294.36] | 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 | 2.24430e+01 | |||
| Coefficient B | 4.98320e-01 | |||
| Coefficient C | -2.92200e-04 | |||
| Coefficient D | 6.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 210.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 229.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 246.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0072543; 0.0002979] | Pa×s | [190.95; 401.79] |
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 | -1.10099e+01 | |||
| Coefficient B | 1.16170e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 190.95 | |||
| Temperature range, max. | 401.79 | |||
| η | 0.0072543 | Pa×s | 190.95 | Calculated Property |
| η | 0.0037314 | Pa×s | 214.38 | Calculated Property |
| η | 0.0021879 | Pa×s | 237.80 | Calculated Property |
| η | 0.0014118 | Pa×s | 261.23 | Calculated Property |
| η | 0.0009791 | Pa×s | 284.66 | Calculated Property |
| η | 0.0007179 | Pa×s | 308.08 | Calculated Property |
| η | 0.0005499 | Pa×s | 331.51 | Calculated Property |
| η | 0.0004364 | Pa×s | 354.94 | Calculated Property |
| η | 0.0003563 | Pa×s | 378.36 | Calculated Property |
| η | 0.0002979 | Pa×s | 401.79 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [324.10; 444.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.93297e+01 | |||
| Coefficient B | -6.38069e+03 | |||
| Coefficient C | 1.09860e+01 | |||
| Temperature range, min. | 324.10 | |||
| Temperature range, max. | 444.18 | |||
| Pvap | 1.33 | kPa | 324.10 | Calculated Property |
| Pvap | 2.76 | kPa | 337.44 | Calculated Property |
| Pvap | 5.43 | kPa | 350.78 | Calculated Property |
| Pvap | 10.17 | kPa | 364.13 | Calculated Property |
| Pvap | 18.24 | kPa | 377.47 | Calculated Property |
| Pvap | 31.48 | kPa | 390.81 | Calculated Property |
| Pvap | 52.44 | kPa | 404.15 | Calculated Property |
| Pvap | 84.63 | kPa | 417.50 | Calculated Property |
| Pvap | 132.69 | kPa | 430.84 | Calculated Property |
| Pvap | 202.62 | kPa | 444.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,4-dichloro-2-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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