- InChI
- InChI=1S/C6H11ClO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
- InChI Key
- PPYKTTGONDVGPX-UHFFFAOYSA-N
- Formula
- C6H11ClO
- SMILES
- ClCC1CCCCO1
- Molecular Weight1
- 134.61
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -244.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.794 | Crippen Calculated Property | |
| McVol | 102.650 | ml/mol | McGowan Calculated Property |
| Tboil | 440.71 | K | Relay (1.0) Calculated Property |
| Tfus | 229.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 326.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.41; 341.74] | 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 | -3.79590e+01 | |||
| Coefficient B | 6.99700e-01 | |||
| Coefficient C | -3.90100e-04 | |||
| Coefficient D | 7.01000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 255.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 315.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 341.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075317; 0.0003171] | Pa×s | [221.25; 443.73] |
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 | -1.12066e+01 | |||
| Coefficient B | 1.39786e+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. | 221.25 | |||
| Temperature range, max. | 443.73 | |||
| η | 0.0075317 | Pa×s | 221.25 | Calculated Property |
| η | 0.0039915 | Pa×s | 245.97 | Calculated Property |
| η | 0.0023754 | Pa×s | 270.69 | Calculated Property |
| η | 0.0015420 | Pa×s | 295.41 | Calculated Property |
| η | 0.0010700 | Pa×s | 320.13 | Calculated Property |
| η | 0.0007824 | Pa×s | 344.85 | Calculated Property |
| η | 0.0005966 | Pa×s | 369.57 | Calculated Property |
| η | 0.0004707 | Pa×s | 394.29 | Calculated Property |
| η | 0.0003818 | Pa×s | 419.01 | Calculated Property |
| η | 0.0003171 | Pa×s | 443.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(CHLOROMETHYL)TETRAHYDRO-2H-PYRAN.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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