- InChI
- InChI=1S/C6H13ClO/c1-3-4-8-5-6(2)7/h6H,3-5H2,1-2H3
- InChI Key
- IWSSPFLMFCMBRR-UHFFFAOYSA-N
- Formula
- C6H13ClO
- SMILES
- CCCOCC(C)Cl
- Molecular Weight1
- 136.62
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3967 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -332.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.040 | Crippen Calculated Property | |
| McVol | 113.510 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [851.00; 851.00] |
|
|
| Inp | 851.00 | NIST | |
| Inp | 851.00 | NIST | |
| Tboil | 412.72 | K | Relay (1.0) Calculated Property |
| Tc | 601.76 | K | Relay (1.0) Calculated Property |
| Tfus | 178.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.26; 356.18] | 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 | 3.41430e+01 | |||
| Coefficient B | 5.23340e-01 | |||
| Coefficient C | -2.15200e-04 | |||
| Coefficient D | 1.39000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 272.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 344.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 356.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059166; 0.0002425] | Pa×s | [194.53; 401.13] |
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 | -1.13328e+01 | |||
| Coefficient B | 1.20663e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 194.53 | |||
| Temperature range, max. | 401.13 | |||
| η | 0.0059166 | Pa×s | 194.53 | Calculated Property |
| η | 0.0030743 | Pa×s | 217.49 | Calculated Property |
| η | 0.0018101 | Pa×s | 240.44 | Calculated Property |
| η | 0.0011689 | Pa×s | 263.40 | Calculated Property |
| η | 0.0008096 | Pa×s | 286.35 | Calculated Property |
| η | 0.0005922 | Pa×s | 309.31 | Calculated Property |
| η | 0.0004523 | Pa×s | 332.26 | Calculated Property |
| η | 0.0003577 | Pa×s | 355.22 | Calculated Property |
| η | 0.0002910 | Pa×s | 378.17 | Calculated Property |
| η | 0.0002425 | Pa×s | 401.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyl 2-chloropropyl ether.
Sources
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