- InChI
- InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h4-5H,2-3,6H2,1H3/b5-4+
- InChI Key
- YTXXOKPWZPVIFH-SNAWJCMRSA-N
- Formula
- C6H11Cl
- SMILES
- CCCC=CCCl
- Molecular Weight1
- 118.61
- CAS
- 35911-16-1
- 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).
- 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 | 0.2662 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.582 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | [827.00; 827.00] |
|
|
| Inp | 827.00 | NIST | |
| Inp | 827.00 | NIST | |
| Tboil | 405.74 | K | Relay (1.0) Calculated Property |
| Tc | 592.71 | K | Relay (1.0) Calculated Property |
| Tfus | 185.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.17; 306.56] | 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 | -3.85700e+00 | |||
| Coefficient B | 6.00620e-01 | |||
| Coefficient C | -4.06800e-04 | |||
| Coefficient D | 1.16600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 162.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 189.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 234.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 268.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 282.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 306.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043993; 0.0002181] | Pa×s | [182.22; 391.98] |
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 | -1.10402e+01 | |||
| Coefficient B | 1.02296e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 182.22 | |||
| Temperature range, max. | 391.98 | |||
| η | 0.0043993 | Pa×s | 182.22 | Calculated Property |
| η | 0.0023276 | Pa×s | 205.53 | Calculated Property |
| η | 0.0014020 | Pa×s | 228.83 | Calculated Property |
| η | 0.0009275 | Pa×s | 252.14 | Calculated Property |
| η | 0.0006580 | Pa×s | 275.44 | Calculated Property |
| η | 0.0004925 | Pa×s | 298.75 | Calculated Property |
| η | 0.0003844 | Pa×s | 322.06 | Calculated Property |
| η | 0.0003102 | Pa×s | 345.36 | Calculated Property |
| η | 0.0002573 | Pa×s | 368.67 | Calculated Property |
| η | 0.0002181 | Pa×s | 391.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 1-chloro-.
Sources
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