- InChI
- InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2
- InChI Key
- WKEVRZCQFQDCIR-UHFFFAOYSA-N
- Formula
- C4H7Cl
- SMILES
- C=CCCCl
- Molecular Weight1
- 90.55
- CAS
- 927-73-1
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.2053 | Relay (1.0) Calculated Property | |
| ΔfG° | 58.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.90 | kJ/mol | NIST |
| ΔfusH° | 9.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | [347.00; 348.00] | K |
|
| Tboil | 347.00 ± 4.00 | K | NIST |
| Tboil | 348.00 ± 5.00 | K | NIST |
| Tc | 531.88 | K | Relay (1.0) Calculated Property |
| Tfus | 148.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.20 | K | 103.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [93.93; 205.45] | 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 | 9.15200e+00 | |||
| Coefficient B | 3.70600e-01 | |||
| Coefficient C | -2.37100e-04 | |||
| Coefficient D | 6.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 130.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 145.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 170.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 205.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029600; 0.0002185] | Pa×s | [163.00; 350.95] |
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 | -1.06891e+01 | |||
| Coefficient B | 7.93240e+02 | |||
| 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. | 163.00 | |||
| Temperature range, max. | 350.95 | |||
| η | 0.0029600 | Pa×s | 163.00 | Calculated Property |
| η | 0.0017032 | Pa×s | 183.88 | Calculated Property |
| η | 0.0010970 | Pa×s | 204.77 | Calculated Property |
| η | 0.0007665 | Pa×s | 225.65 | Calculated Property |
| η | 0.0005691 | Pa×s | 246.53 | Calculated Property |
| η | 0.0004426 | Pa×s | 267.41 | Calculated Property |
| η | 0.0003571 | Pa×s | 288.30 | Calculated Property |
| η | 0.0002965 | Pa×s | 309.18 | Calculated Property |
| η | 0.0002521 | Pa×s | 330.06 | Calculated Property |
| η | 0.0002185 | Pa×s | 350.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-chlorobut-1-ene.
Sources
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