- InChI
- InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- InChI Key
- GLCIPJOIEVLTPR-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CCCCC(C)Cl
- Molecular Weight1
- 120.62
- CAS
- 638-28-8
- Other Names
-
- 2-Chlorohexane
- 2-Hexyl chloride
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -14.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.82 ± 0.06 | kJ/mol | NIST |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.804 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | [796.00; 809.00] |
|
|
| Inp | 809.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 809.00 | NIST | |
| I | [959.00; 978.00] |
|
|
| I | 959.00 | NIST | |
| I | 969.00 | NIST | |
| I | 967.00 | NIST | |
| I | 978.00 | NIST | |
| I | 959.00 | NIST | |
| Tboil | [395.00; 399.15] | K |
|
| Tboil | 396.65 ± 4.00 | K | NIST |
| Tboil | 396.15 ± 3.00 | K | NIST |
| Tboil | 399.15 ± 3.00 | K | NIST |
| Tboil | 395.00 ± 6.00 | K | NIST |
| Tc | 550.01 | K | Joback Calculated Property |
| Tfus | 172.30 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.85; 244.00] | J/mol×K | [373.67; 550.01] |
|
| Cp,gas | 185.85 | J/mol×K | 373.67 | Joback Calculated Property |
| Cp,gas | 196.56 | J/mol×K | 403.06 | Joback Calculated Property |
| Cp,gas | 206.84 | J/mol×K | 432.45 | Joback Calculated Property |
| Cp,gas | 216.72 | J/mol×K | 461.84 | Joback Calculated Property |
| Cp,gas | 226.20 | J/mol×K | 491.23 | Joback Calculated Property |
| Cp,gas | 235.29 | J/mol×K | 520.62 | Joback Calculated Property |
| Cp,gas | 244.00 | J/mol×K | 550.01 | Joback Calculated Property |
| η | [0.0002833; 0.0084225] | Pa×s | [172.30; 373.67] |
|
| η | 0.0084225 | Pa×s | 172.30 | Joback Calculated Property |
| η | 0.0030184 | Pa×s | 205.86 | Joback Calculated Property |
| η | 0.0014423 | Pa×s | 239.42 | Joback Calculated Property |
| η | 0.0008264 | Pa×s | 272.99 | Joback Calculated Property |
| η | 0.0005349 | Pa×s | 306.55 | Joback Calculated Property |
| η | 0.0003773 | Pa×s | 340.11 | Joback Calculated Property |
| η | 0.0002833 | Pa×s | 373.67 | Joback Calculated Property |
| ΔvapH | 40.90 | kJ/mol | 349.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [298.72; 428.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48776e+01 | |||
| Coefficient B | -3.60611e+03 | |||
| Coefficient C | -5.15580e+01 | |||
| Temperature range, min. | 298.72 | |||
| Temperature range, max. | 428.52 | |||
| Pvap | 1.33 | kPa | 298.72 | Calculated Property |
| Pvap | 2.98 | kPa | 313.14 | Calculated Property |
| Pvap | 6.12 | kPa | 327.56 | Calculated Property |
| Pvap | 11.72 | kPa | 341.99 | Calculated Property |
| Pvap | 21.08 | kPa | 356.41 | Calculated Property |
| Pvap | 35.98 | kPa | 370.83 | Calculated Property |
| Pvap | 58.62 | kPa | 385.25 | Calculated Property |
| Pvap | 91.72 | kPa | 399.68 | Calculated Property |
| Pvap | 138.50 | kPa | 414.10 | Calculated Property |
| Pvap | 202.63 | kPa | 428.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2-chloro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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