- InChI
- InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3
- InChI Key
- YTKRILODNOEEPX-UHFFFAOYSA-N
- Formula
- C4H7Cl
- SMILES
- CC=CCCl
- Molecular Weight1
- 90.55
- CAS
- 591-97-9
- Other Names
-
- 1-Chloro-2-butene
- 1-chlorobut-2-ene
- 2-Butenyl chloride
- Crotyl chloride
- «alpha»-Chloro-«beta»-butylene
- «gamma»-Methallyl chloride
- «gamma»-Methylallyl chloride
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.2129 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.37 | kJ/mol | NIST |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Tboil | [356.15; 357.40] | K |
|
| Tboil | 357.40 ± 1.00 | K | NIST |
| Tboil | 357.15 ± 2.00 | K | NIST |
| Tboil | 357.15 ± 2.00 | K | NIST |
| Tboil | 357.15 ± 2.00 | K | NIST |
| Tboil | 356.15 ± 2.00 | K | NIST |
| Tc | 546.80 | K | Relay (1.0) Calculated Property |
| Tfus | 208.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.270 | 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 | [89.74; 203.38] | 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 | -2.03900e+00 | |||
| Coefficient B | 4.10620e-01 | |||
| Coefficient C | -2.98000e-04 | |||
| Coefficient D | 9.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 89.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 110.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 127.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 143.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 156.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 168.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 203.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010055; 0.0001847] | Pa×s | [208.15; 360.48] |
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 | -1.09121e+01 | |||
| Coefficient B | 8.34640e+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. | 208.15 | |||
| Temperature range, max. | 360.48 | |||
| η | 0.0010055 | Pa×s | 208.15 | Calculated Property |
| η | 0.0007438 | Pa×s | 225.08 | Calculated Property |
| η | 0.0005738 | Pa×s | 242.00 | Calculated Property |
| η | 0.0004580 | Pa×s | 258.93 | Calculated Property |
| η | 0.0003758 | Pa×s | 275.85 | Calculated Property |
| η | 0.0003155 | Pa×s | 292.78 | Calculated Property |
| η | 0.0002700 | Pa×s | 309.70 | Calculated Property |
| η | 0.0002348 | Pa×s | 326.63 | Calculated Property |
| η | 0.0002070 | Pa×s | 343.56 | Calculated Property |
| η | 0.0001847 | Pa×s | 360.48 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [262.72; 380.54] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48493e+01 | |||
| Coefficient B | -3.25704e+03 | |||
| Coefficient C | -3.90480e+01 | |||
| Temperature range, min. | 262.72 | |||
| Temperature range, max. | 380.54 | |||
| Pvap | 1.33 | kPa | 262.72 | Calculated Property |
| Pvap | 2.98 | kPa | 275.81 | Calculated Property |
| Pvap | 6.13 | kPa | 288.90 | Calculated Property |
| Pvap | 11.73 | kPa | 301.99 | Calculated Property |
| Pvap | 21.11 | kPa | 315.08 | Calculated Property |
| Pvap | 36.02 | kPa | 328.18 | Calculated Property |
| Pvap | 58.68 | kPa | 341.27 | Calculated Property |
| Pvap | 91.80 | kPa | 354.36 | Calculated Property |
| Pvap | 138.57 | kPa | 367.45 | Calculated Property |
| Pvap | 202.67 | kPa | 380.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1-chloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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