- InChI
- InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m1/s1
- InChI Key
- RMISVOPUIFJTEO-IMJSIDKUSA-N
- Formula
- C4H8Cl2
- SMILES
- C[C@@H](Cl)[C@@H](C)Cl
- Molecular Weight1
- 127.01
- 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).
- 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 | 0.2548 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.241 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | 903.00 | NIST | |
| Tboil | 398.49 | K | Relay (1.0) Calculated Property |
| Tc | 591.74 | K | Relay (1.0) Calculated Property |
| Tfus | 241.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.52; 243.31] | 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 | 2.16700e+01 | |||
| Coefficient B | 4.09240e-01 | |||
| Coefficient C | -2.41000e-04 | |||
| Coefficient D | 5.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 138.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 158.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 175.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 191.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 204.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 216.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 226.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0130687; 0.0002717] | Pa×s | [164.68; 389.35] |
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 | -1.10497e+01 | |||
| Coefficient B | 1.10536e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 164.68 | |||
| Temperature range, max. | 389.35 | |||
| η | 0.0130687 | Pa×s | 164.68 | Calculated Property |
| η | 0.0054016 | Pa×s | 189.64 | Calculated Property |
| η | 0.0027420 | Pa×s | 214.61 | Calculated Property |
| η | 0.0016032 | Pa×s | 239.57 | Calculated Property |
| η | 0.0010373 | Pa×s | 264.53 | Calculated Property |
| η | 0.0007235 | Pa×s | 289.50 | Calculated Property |
| η | 0.0005343 | Pa×s | 314.46 | Calculated Property |
| η | 0.0004126 | Pa×s | 339.42 | Calculated Property |
| η | 0.0003301 | Pa×s | 364.38 | Calculated Property |
| η | 0.0002717 | Pa×s | 389.35 | Calculated Property |
Similar Compounds
Find more compounds similar to rac-2,3-Dichlorobutane.
Sources
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