- InChI
- InChI=1S/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2
- InChI Key
- IVJLGIMHHWKRAN-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- ClCC1CCCO1
- Molecular Weight1
- 120.58
- CAS
- 3003-84-7
- Other Names
-
- Furan, 2-(chloromethyl)tetrahydro-
- 2-(Chloromethyl)tetrahydrofuran
- 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 | -213.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.404 | Crippen Calculated Property | |
| McVol | 88.560 | ml/mol | McGowan Calculated Property |
| Inp | [877.00; 930.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 930.00 | NIST | |
| Tboil | [423.50; 423.70] | K |
|
| Tboil | 423.70 | K | NIST |
| Tboil | 423.50 ± 0.50 | K | NIST |
| Tfus | 210.49 | 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 | [109.09; 288.37] | 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 | -3.19290e+01 | |||
| Coefficient B | 6.14300e-01 | |||
| Coefficient C | -3.82100e-04 | |||
| Coefficient D | 8.81000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 195.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 217.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 236.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 252.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 278.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 288.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044638; 0.0003622] | Pa×s | [213.50; 420.11] |
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 | -1.05187e+01 | |||
| Coefficient B | 1.09033e+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. | 213.50 | |||
| Temperature range, max. | 420.11 | |||
| η | 0.0044638 | Pa×s | 213.50 | Calculated Property |
| η | 0.0027188 | Pa×s | 236.46 | Calculated Property |
| η | 0.0018078 | Pa×s | 259.41 | Calculated Property |
| η | 0.0012845 | Pa×s | 282.37 | Calculated Property |
| η | 0.0009609 | Pa×s | 305.33 | Calculated Property |
| η | 0.0007485 | Pa×s | 328.28 | Calculated Property |
| η | 0.0006025 | Pa×s | 351.24 | Calculated Property |
| η | 0.0004980 | Pa×s | 374.20 | Calculated Property |
| η | 0.0004208 | Pa×s | 397.16 | Calculated Property |
| η | 0.0003622 | Pa×s | 420.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetrahydrofurfuryl chloride.
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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