- InChI
- InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
- InChI Key
- JNTPTNNCGDAGEJ-UHFFFAOYSA-N
- Formula
- C6H13ClO
- SMILES
- OCCCCCCCl
- Molecular Weight1
- 136.62
- CAS
- 2009-83-8
- Other Names
-
- 1-Chloro-6-hexanol
- 1-Chloro-6-hydroxyhexane
- 6-Chloro-1-hexanol
- 6-Chlorohexanol
- 6-chlorohexan-1-ol
- Hexamethylene chlorohydrin
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6826 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.778 | Crippen Calculated Property | |
| McVol | 113.510 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Tboil | 484.38 | K | Relay (1.0) Calculated Property |
| Tc | 709.57 | K | Relay (1.0) Calculated Property |
| Tfus | 255.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.67; 355.82] | 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 | 1.56160e+01 | |||
| Coefficient B | 6.14600e-01 | |||
| Coefficient C | -3.53400e-04 | |||
| Coefficient D | 7.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 343.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0407336; 0.0002988] | Pa×s | [248.12; 443.75] |
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 | -1.43498e+01 | |||
| Coefficient B | 2.76631e+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. | 248.12 | |||
| Temperature range, max. | 443.75 | |||
| η | 0.0407336 | Pa×s | 248.12 | Calculated Property |
| η | 0.0165932 | Pa×s | 269.86 | Calculated Property |
| η | 0.0077278 | Pa×s | 291.59 | Calculated Property |
| η | 0.0040016 | Pa×s | 313.33 | Calculated Property |
| η | 0.0022568 | Pa×s | 335.07 | Calculated Property |
| η | 0.0013648 | Pa×s | 356.81 | Calculated Property |
| η | 0.0008744 | Pa×s | 378.54 | Calculated Property |
| η | 0.0005880 | Pa×s | 400.28 | Calculated Property |
| η | 0.0004119 | Pa×s | 422.02 | Calculated Property |
| η | 0.0002988 | Pa×s | 443.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, 6-chloro-.
Sources
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