- InChI
- InChI=1S/C6H12Cl2/c1-3-4-6(8)5(2)7/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
- InChI Key
- IILOKMKZRPIYGG-WDSKDSINSA-N
- Formula
- C6H12Cl2
- SMILES
- CCCC(Cl)C(C)Cl
- Molecular Weight1
- 155.06
- Other Names
-
- 2,3-dichlorohexane (erythro)
- 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.
- I : 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 | 0.3259 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.021 | Crippen Calculated Property | |
| McVol | 119.880 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | 965.00 | NIST | |
| I | [1231.00; 1231.00] |
|
|
| I | 1231.00 | NIST | |
| I | 1231.00 | NIST | |
| Tboil | 427.00 | K | Relay (1.0) Calculated Property |
| Tc | 627.88 | K | Relay (1.0) Calculated Property |
| Tfus | 217.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.95; 346.49] | 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 | 1.98520e+01 | |||
| Coefficient B | 5.99240e-01 | |||
| Coefficient C | -3.49800e-04 | |||
| Coefficient D | 7.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 246.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 269.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 321.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 346.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0130601; 0.0002842] | Pa×s | [187.22; 419.70] |
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 | -1.12481e+01 | |||
| Coefficient B | 1.29368e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 187.22 | |||
| Temperature range, max. | 419.70 | |||
| η | 0.0130601 | Pa×s | 187.22 | Calculated Property |
| η | 0.0056507 | Pa×s | 213.05 | Calculated Property |
| η | 0.0029305 | Pa×s | 238.88 | Calculated Property |
| η | 0.0017276 | Pa×s | 264.71 | Calculated Property |
| η | 0.0011188 | Pa×s | 290.54 | Calculated Property |
| η | 0.0007778 | Pa×s | 316.38 | Calculated Property |
| η | 0.0005712 | Pa×s | 342.21 | Calculated Property |
| η | 0.0004381 | Pa×s | 368.04 | Calculated Property |
| η | 0.0003479 | Pa×s | 393.87 | Calculated Property |
| η | 0.0002842 | Pa×s | 419.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3-dichloro-, erythro.
Sources
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