- InChI
- InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
- InChI Key
- YWGHUJQYGPDNKT-UHFFFAOYSA-N
- Formula
- C6H11ClO
- SMILES
- CCCCCC(=O)Cl
- Molecular Weight1
- 134.60
- CAS
- 142-61-0
- 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).
- 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 | 0.4356 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.332 | Crippen Calculated Property | |
| McVol | 109.210 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Tboil | 426.20 | K | NIST |
| Tc | 605.24 | K | Relay (1.0) Calculated Property |
| Tfus | 186.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.09; 326.16] | 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 | 1.76840e+01 | |||
| Coefficient B | 5.52620e-01 | |||
| Coefficient C | -3.04300e-04 | |||
| Coefficient D | 6.01600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 251.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 287.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0177190; 0.0003469] | Pa×s | [186.15; 429.24] |
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 | -1.09786e+01 | |||
| Coefficient B | 1.29291e+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. | 186.15 | |||
| Temperature range, max. | 429.24 | |||
| η | 0.0177190 | Pa×s | 186.15 | Calculated Property |
| η | 0.0073488 | Pa×s | 213.16 | Calculated Property |
| η | 0.0037151 | Pa×s | 240.17 | Calculated Property |
| η | 0.0021558 | Pa×s | 267.18 | Calculated Property |
| η | 0.0013825 | Pa×s | 294.19 | Calculated Property |
| η | 0.0009554 | Pa×s | 321.20 | Calculated Property |
| η | 0.0006991 | Pa×s | 348.21 | Calculated Property |
| η | 0.0005352 | Pa×s | 375.22 | Calculated Property |
| η | 0.0004246 | Pa×s | 402.23 | Calculated Property |
| η | 0.0003469 | Pa×s | 429.24 | Calculated Property |
Similar Compounds
Find more compounds similar to hexanoyl chloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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