- InChI
- InChI=1S/C6H13ClO/c1-2-8-6-4-3-5-7/h2-6H2,1H3
- InChI Key
- IXRDURXALZYREB-UHFFFAOYSA-N
- Formula
- C6H13ClO
- SMILES
- CCOCCCCCl
- 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 | 0.4209 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.042 | Crippen Calculated Property | |
| McVol | 113.510 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Inp | [913.70; 915.20] |
|
|
| Inp | 913.70 | NIST | |
| Inp | 915.20 | NIST | |
| Tboil | 420.65 | K | Relay (1.0) Calculated Property |
| Tc | 603.31 | K | Relay (1.0) Calculated Property |
| Tfus | 199.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.57; 355.64] | 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 | 3.58250e+01 | |||
| Coefficient B | 5.17420e-01 | |||
| Coefficient C | -2.12000e-04 | |||
| Coefficient D | 1.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 248.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 271.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 329.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 343.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036227; 0.0002569] | Pa×s | [209.53; 398.62] |
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 | -1.11988e+01 | |||
| Coefficient B | 1.16881e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 209.53 | |||
| Temperature range, max. | 398.62 | |||
| η | 0.0036227 | Pa×s | 209.53 | Calculated Property |
| η | 0.0021790 | Pa×s | 230.54 | Calculated Property |
| η | 0.0014267 | Pa×s | 251.55 | Calculated Property |
| η | 0.0009972 | Pa×s | 272.56 | Calculated Property |
| η | 0.0007337 | Pa×s | 293.57 | Calculated Property |
| η | 0.0005624 | Pa×s | 314.58 | Calculated Property |
| η | 0.0004457 | Pa×s | 335.59 | Calculated Property |
| η | 0.0003630 | Pa×s | 356.60 | Calculated Property |
| η | 0.0003025 | Pa×s | 377.61 | Calculated Property |
| η | 0.0002569 | Pa×s | 398.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-4-ethoxy-.
Sources
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