- InChI
- InChI=1S/C5H9Cl/c1-5(2)3-4-6/h1,3-4H2,2H3
- InChI Key
- LGMPVUDVTHHFDR-UHFFFAOYSA-N
- Formula
- C5H9Cl
- SMILES
- C=C(C)CCCl
- Molecular Weight1
- 104.58
- CAS
- 10523-96-3
- Other Names
-
- 4-Chloro-2-methyl-1-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° | 58.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 2.191 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | [694.00; 696.00] |
|
|
| Inp | 694.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 694.00 | NIST | |
| Tboil | 347.79 | K | Joback Calculated Property |
| Tc | 527.66 | K | Joback Calculated Property |
| Tfus | 160.31 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.14; 183.63] | J/mol×K | [347.79; 527.66] |
|
| Cp,gas | 138.14 | J/mol×K | 347.79 | Joback Calculated Property |
| Cp,gas | 146.61 | J/mol×K | 377.77 | Joback Calculated Property |
| Cp,gas | 154.71 | J/mol×K | 407.75 | Joback Calculated Property |
| Cp,gas | 162.44 | J/mol×K | 437.72 | Joback Calculated Property |
| Cp,gas | 169.84 | J/mol×K | 467.70 | Joback Calculated Property |
| Cp,gas | 176.89 | J/mol×K | 497.68 | Joback Calculated Property |
| Cp,gas | 183.63 | J/mol×K | 527.66 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [278.12; 401.17] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48111e+01 | |||
| Coefficient B | -3.37931e+03 | |||
| Coefficient C | -4.54420e+01 | |||
| Temperature range, min. | 278.12 | |||
| Temperature range, max. | 401.17 | |||
| Pvap | 1.33 | kPa | 278.12 | Calculated Property |
| Pvap | 2.99 | kPa | 291.79 | Calculated Property |
| Pvap | 6.14 | kPa | 305.46 | Calculated Property |
| Pvap | 11.75 | kPa | 319.14 | Calculated Property |
| Pvap | 21.15 | kPa | 332.81 | Calculated Property |
| Pvap | 36.08 | kPa | 346.48 | Calculated Property |
| Pvap | 58.75 | kPa | 360.15 | Calculated Property |
| Pvap | 91.87 | kPa | 373.83 | Calculated Property |
| Pvap | 138.62 | kPa | 387.50 | Calculated Property |
| Pvap | 202.64 | kPa | 401.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 4-chloro-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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