- InChI
- InChI=1S/C5H9Cl/c1-4(2)5(3)6/h4H,3H2,1-2H3
- InChI Key
- RBSYGFLXVMWYGD-UHFFFAOYSA-N
- Formula
- C5H9Cl
- SMILES
- C=C(Cl)C(C)C
- Molecular Weight1
- 104.58
- CAS
- 17773-64-7
- Other Names
-
- 2-Chloro-3-methyl-1-butene
- CH2=C(Cl)CH(CH3)2
- 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° | 56.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Inp | [626.00; 629.00] |
|
|
| Inp | 626.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 626.00 | NIST | |
| Tboil | 347.35 | K | Joback Calculated Property |
| Tc | 531.71 | K | Joback Calculated Property |
| Tfus | 145.31 | K | Joback Calculated Property |
| Vc | 0.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.98; 185.00] | J/mol×K | [347.35; 531.71] |
|
| Cp,gas | 137.98 | J/mol×K | 347.35 | Joback Calculated Property |
| Cp,gas | 146.76 | J/mol×K | 378.08 | Joback Calculated Property |
| Cp,gas | 155.15 | J/mol×K | 408.80 | Joback Calculated Property |
| Cp,gas | 163.16 | J/mol×K | 439.53 | Joback Calculated Property |
| Cp,gas | 170.79 | J/mol×K | 470.26 | Joback Calculated Property |
| Cp,gas | 178.07 | J/mol×K | 500.99 | Joback Calculated Property |
| Cp,gas | 185.00 | J/mol×K | 531.71 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [268.52; 404.79] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36588e+01 | |||
| Coefficient B | -3.02744e+03 | |||
| Coefficient C | -4.21060e+01 | |||
| Temperature range, min. | 268.52 | |||
| Temperature range, max. | 404.79 | |||
| Pvap | 1.33 | kPa | 268.52 | Calculated Property |
| Pvap | 3.08 | kPa | 283.66 | Calculated Property |
| Pvap | 6.46 | kPa | 298.80 | Calculated Property |
| Pvap | 12.45 | kPa | 313.94 | Calculated Property |
| Pvap | 22.41 | kPa | 329.08 | Calculated Property |
| Pvap | 38.02 | kPa | 344.23 | Calculated Property |
| Pvap | 61.34 | kPa | 359.37 | Calculated Property |
| Pvap | 94.73 | kPa | 374.51 | Calculated Property |
| Pvap | 140.87 | kPa | 389.65 | Calculated Property |
| Pvap | 202.66 | kPa | 404.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 2-chloro-3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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