- InChI
- InChI=1S/C5H9Cl/c1-4(2)5(3)6/h1-3H3
- InChI Key
- WIIKEBDPJPYJHF-UHFFFAOYSA-N
- Formula
- C5H9Cl
- SMILES
- CC(C)=C(C)Cl
- Molecular Weight1
- 104.58
- CAS
- 17773-65-8
- Other Names
-
- 2-Chloro-3-methyl-2-butene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 42.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.539 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Inp | [698.00; 700.00] |
|
|
| Inp | 698.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 698.00 | NIST | |
| Tboil | 355.15 | K | Joback Calculated Property |
| Tc | 544.94 | K | Joback Calculated Property |
| Tfus | 143.03 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.01; 184.63] | J/mol×K | [355.15; 544.94] |
|
| Cp,gas | 137.01 | J/mol×K | 355.15 | Joback Calculated Property |
| Cp,gas | 146.03 | J/mol×K | 386.78 | Joback Calculated Property |
| Cp,gas | 154.59 | J/mol×K | 418.41 | Joback Calculated Property |
| Cp,gas | 162.71 | J/mol×K | 450.04 | Joback Calculated Property |
| Cp,gas | 170.41 | J/mol×K | 481.67 | Joback Calculated Property |
| Cp,gas | 177.71 | J/mol×K | 513.31 | Joback Calculated Property |
| Cp,gas | 184.63 | J/mol×K | 544.94 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [271.72; 403.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40196e+01 | |||
| Coefficient B | -3.13779e+03 | |||
| Coefficient C | -4.32180e+01 | |||
| Temperature range, min. | 271.72 | |||
| Temperature range, max. | 403.55 | |||
| Pvap | 1.33 | kPa | 271.72 | Calculated Property |
| Pvap | 3.05 | kPa | 286.37 | Calculated Property |
| Pvap | 6.35 | kPa | 301.02 | Calculated Property |
| Pvap | 12.21 | kPa | 315.66 | Calculated Property |
| Pvap | 21.98 | kPa | 330.31 | Calculated Property |
| Pvap | 37.36 | kPa | 344.96 | Calculated Property |
| Pvap | 60.47 | kPa | 359.61 | Calculated Property |
| Pvap | 93.78 | kPa | 374.25 | Calculated Property |
| Pvap | 140.13 | kPa | 388.90 | Calculated Property |
| Pvap | 202.66 | kPa | 403.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 2-chloro-3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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