- InChI
- InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
- InChI Key
- OHXAOPZTJOUYKM-UHFFFAOYSA-N
- Formula
- C4H7Cl
- SMILES
- C=C(C)CCl
- Molecular Weight1
- 90.55
- CAS
- 563-47-3
- Other Names
-
- 1-Chloro-2-methyl-2-propene
- 2-Methallyl chloride
- 2-Methyl-2-propenyl chloride
- 2-Methyl-allylchlorid
- 2-Methylallyl chloride
- 3-Chlor-2-methyl-prop-1-en
- 3-Chloro-2-methyl-1-propene
- 3-Chloro-2-methylpropene
- 3-Chloro-2-methylpropene-1
- 3-Cloro-2-metil-prop-1-ene
- Chlorure de methallyle
- Cloruro di metallile
- Isobutenyl chloride
- Methallyl chloride
- Methylallyl chloride
- NCI-C54820
- NSC 7303
- Propene, 3-chloro-2-methyl-
- UN 2554
- «beta»-Methallyl chloride
- «beta»-Methylallyl chloride
- «gamma»-Chloroisobutylene
- «beta»-Methallyl chloride
- «beta»-Methylallyl chloride
- «gamma»-Chloroisobutylene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 50.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.801 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Inp | [598.00; 626.00] |
|
|
| Inp | 598.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 598.00 | NIST | |
| Tboil | [344.10; 431.00] | K |
|
| Tboil | 344.70 | K | NIST |
| Tboil | 345.55 ± 0.60 | K | NIST |
| Tboil | 431.00 ± 5.00 | K | NIST |
| Tboil | 344.10 ± 0.70 | K | NIST |
| Tboil | 345.25 ± 0.70 | K | NIST |
| Tc | 504.71 | K | Joback Calculated Property |
| Tfus | 194.50 ± 5.00 | K | NIST |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.79; 143.79] | J/mol×K | [324.91; 504.71] |
|
| Cp,gas | 106.79 | J/mol×K | 324.91 | Joback Calculated Property |
| Cp,gas | 113.69 | J/mol×K | 354.88 | Joback Calculated Property |
| Cp,gas | 120.28 | J/mol×K | 384.84 | Joback Calculated Property |
| Cp,gas | 126.57 | J/mol×K | 414.81 | Joback Calculated Property |
| Cp,gas | 132.58 | J/mol×K | 444.78 | Joback Calculated Property |
| Cp,gas | 138.32 | J/mol×K | 474.75 | Joback Calculated Property |
| Cp,gas | 143.79 | J/mol×K | 504.71 | Joback Calculated Property |
| ΔvapH | 33.30 | kJ/mol | 316.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 207.57] | kPa | [251.58; 369.03] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40704e+01 | |||
| Coefficient B | -2.80114e+03 | |||
| Coefficient C | -4.83490e+01 | |||
| Temperature range, min. | 251.58 | |||
| Temperature range, max. | 369.03 | |||
| Pvap | 1.33 | kPa | 251.58 | Calculated Property |
| Pvap | 3.06 | kPa | 264.63 | Calculated Property |
| Pvap | 6.40 | kPa | 277.68 | Calculated Property |
| Pvap | 12.35 | kPa | 290.73 | Calculated Property |
| Pvap | 22.29 | kPa | 303.78 | Calculated Property |
| Pvap | 37.98 | kPa | 316.83 | Calculated Property |
| Pvap | 61.61 | kPa | 329.88 | Calculated Property |
| Pvap | 95.73 | kPa | 342.93 | Calculated Property |
| Pvap | 143.30 | kPa | 355.98 | Calculated Property |
| Pvap | 207.57 | kPa | 369.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3-chloro-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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