- InChI
- InChI=1S/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3
- InChI Key
- AQVWVFMAJAIJFG-UHFFFAOYSA-N
- Formula
- C5H11ClO
- SMILES
- CCOCCCCl
- Molecular Weight1
- 122.59
- 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 | 0.3740 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.652 | Crippen Calculated Property | |
| McVol | 99.420 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [794.80; 798.60] |
|
|
| Inp | 798.60 | NIST | |
| Inp | 794.80 | NIST | |
| Tboil | 399.65 ± 3.00 | K | NIST |
| Tc | 580.56 | K | Relay (1.0) Calculated Property |
| Tfus | 181.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.36; 304.05] | 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 | 3.67340e+01 | |||
| Coefficient B | 4.22420e-01 | |||
| Coefficient C | -1.57600e-04 | |||
| Coefficient D | 2.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 233.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 251.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 281.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 293.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 304.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033874; 0.0002479] | Pa×s | [198.26; 383.03] |
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 | -1.11081e+01 | |||
| Coefficient B | 1.07465e+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. | 198.26 | |||
| Temperature range, max. | 383.03 | |||
| η | 0.0033874 | Pa×s | 198.26 | Calculated Property |
| η | 0.0020369 | Pa×s | 218.79 | Calculated Property |
| η | 0.0013365 | Pa×s | 239.32 | Calculated Property |
| η | 0.0009373 | Pa×s | 259.85 | Calculated Property |
| η | 0.0006924 | Pa×s | 280.38 | Calculated Property |
| η | 0.0005331 | Pa×s | 300.91 | Calculated Property |
| η | 0.0004244 | Pa×s | 321.44 | Calculated Property |
| η | 0.0003472 | Pa×s | 341.97 | Calculated Property |
| η | 0.0002906 | Pa×s | 362.50 | Calculated Property |
| η | 0.0002479 | Pa×s | 383.03 | Calculated Property |
Similar Compounds
Find more compounds similar to PROPANE, 1-CHLORO-3-ETHOXY-.
Sources
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