- InChI
- InChI=1S/C5H9ClO/c6-5-2-1-3-7-4-5/h5H,1-4H2
- InChI Key
- GABNFOSTPFAECR-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- ClC1CCCOC1
- Molecular Weight1
- 120.58
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | -237.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.404 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Inp | [930.00; 945.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 930.00 | NIST | |
| Tboil | 427.67 | K | Relay (1.0) Calculated Property |
| Tfus | 207.06 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.20; 290.15] | 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 | -3.70500e+01 | |||
| Coefficient B | 6.04700e-01 | |||
| Coefficient C | -3.35700e-04 | |||
| Coefficient D | 5.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 167.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 193.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 216.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 236.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 268.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 280.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 290.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073798; 0.0003092] | Pa×s | [209.98; 429.39] |
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 | -1.11177e+01 | |||
| Coefficient B | 1.30370e+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. | 209.98 | |||
| Temperature range, max. | 429.39 | |||
| η | 0.0073798 | Pa×s | 209.98 | Calculated Property |
| η | 0.0038686 | Pa×s | 234.36 | Calculated Property |
| η | 0.0022904 | Pa×s | 258.74 | Calculated Property |
| η | 0.0014842 | Pa×s | 283.12 | Calculated Property |
| η | 0.0010302 | Pa×s | 307.50 | Calculated Property |
| η | 0.0007545 | Pa×s | 331.88 | Calculated Property |
| η | 0.0005767 | Pa×s | 356.26 | Calculated Property |
| η | 0.0004562 | Pa×s | 380.64 | Calculated Property |
| η | 0.0003712 | Pa×s | 405.02 | Calculated Property |
| η | 0.0003092 | Pa×s | 429.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran, tetrahydro, 3-chloro, # 1.
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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