- InChI
- InChI=1S/C6H12Cl2/c1-2-6(8)4-3-5-7/h6H,2-5H2,1H3
- InChI Key
- QUBRHRAWRVZUFZ-UHFFFAOYSA-N
- Formula
- C6H12Cl2
- SMILES
- CCC(Cl)CCCCl
- Molecular Weight1
- 155.06
- CAS
- 50635-35-3
- Other Names
-
- Hexane, 1,4-dichloro
- 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.
- 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 | 0.3729 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.023 | Crippen Calculated Property | |
| McVol | 119.880 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1058.00; 1058.00] |
|
|
| Inp | 1058.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1058.00 | NIST | |
| I | [1419.00; 1419.00] |
|
|
| I | 1419.00 | NIST | |
| I | 1419.00 | NIST | |
| Tboil | 442.13 | K | Relay (1.0) Calculated Property |
| Tc | 645.10 | K | Relay (1.0) Calculated Property |
| Tfus | 206.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.26; 345.95] | 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 | 2.15340e+01 | |||
| Coefficient B | 5.93320e-01 | |||
| Coefficient C | -3.46600e-04 | |||
| Coefficient D | 7.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 305.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 321.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0074186; 0.0003029] | Pa×s | [202.22; 416.96] |
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 | -1.11141e+01 | |||
| Coefficient B | 1.25586e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 202.22 | |||
| Temperature range, max. | 416.96 | |||
| η | 0.0074186 | Pa×s | 202.22 | Calculated Property |
| η | 0.0038519 | Pa×s | 226.08 | Calculated Property |
| η | 0.0022666 | Pa×s | 249.94 | Calculated Property |
| η | 0.0014629 | Pa×s | 273.80 | Calculated Property |
| η | 0.0010128 | Pa×s | 297.66 | Calculated Property |
| η | 0.0007405 | Pa×s | 321.52 | Calculated Property |
| η | 0.0005654 | Pa×s | 345.38 | Calculated Property |
| η | 0.0004470 | Pa×s | 369.24 | Calculated Property |
| η | 0.0003636 | Pa×s | 393.10 | Calculated Property |
| η | 0.0003029 | Pa×s | 416.96 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [349.72; 470.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.69346e+01 | |||
| Coefficient B | -4.66271e+03 | |||
| Coefficient C | -6.96280e+01 | |||
| Temperature range, min. | 349.72 | |||
| Temperature range, max. | 470.78 | |||
| Pvap | 1.33 | kPa | 349.72 | Calculated Property |
| Pvap | 2.86 | kPa | 363.17 | Calculated Property |
| Pvap | 5.73 | kPa | 376.62 | Calculated Property |
| Pvap | 10.85 | kPa | 390.07 | Calculated Property |
| Pvap | 19.49 | kPa | 403.52 | Calculated Property |
| Pvap | 33.48 | kPa | 416.98 | Calculated Property |
| Pvap | 55.22 | kPa | 430.43 | Calculated Property |
| Pvap | 87.87 | kPa | 443.88 | Calculated Property |
| Pvap | 135.38 | kPa | 457.33 | Calculated Property |
| Pvap | 202.62 | kPa | 470.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dichlorohexane.
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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