- InChI
- InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3-
- InChI Key
- MXVSJNLRVLKAOG-ONEGZZNKSA-N
- Formula
- C5H9Cl
- SMILES
- CC(C)/C=C/Cl
- Molecular Weight1
- 104.58
- CAS
- 23010-00-6
- Other Names
-
- 1-Chloro-3-methyl-1-butene
- 3-Methyl-1-chloro-1-butene
- «beta»-Isopropylvinyl 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).
- 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 |
|---|---|---|---|
| ω | 0.2513 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Inp | [661.00; 668.00] |
|
|
| Inp | 661.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 668.00 | NIST | |
| Tboil | 350.88 | K | Relay (1.0) Calculated Property |
| Tc | 527.53 | K | Relay (1.0) Calculated Property |
| Tfus | 164.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | 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 | [110.64; 255.51] | 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 | -4.63000e+00 | |||
| Coefficient B | 5.11540e-01 | |||
| Coefficient C | -3.55600e-04 | |||
| Coefficient D | 1.04200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 110.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 136.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 196.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 211.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 224.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 235.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 246.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 255.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0074259; 0.0001931] | Pa×s | [155.95; 379.25] |
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 | -1.11010e+01 | |||
| Coefficient B | 9.66620e+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. | 155.95 | |||
| Temperature range, max. | 379.25 | |||
| η | 0.0074259 | Pa×s | 155.95 | Calculated Property |
| η | 0.0031715 | Pa×s | 180.76 | Calculated Property |
| η | 0.0016633 | Pa×s | 205.57 | Calculated Property |
| η | 0.0010024 | Pa×s | 230.38 | Calculated Property |
| η | 0.0006666 | Pa×s | 255.19 | Calculated Property |
| η | 0.0004766 | Pa×s | 280.00 | Calculated Property |
| η | 0.0003598 | Pa×s | 304.81 | Calculated Property |
| η | 0.0002834 | Pa×s | 329.62 | Calculated Property |
| η | 0.0002308 | Pa×s | 354.44 | Calculated Property |
| η | 0.0001931 | Pa×s | 379.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [266.12; 405.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34019e+01 | |||
| Coefficient B | -2.94873e+03 | |||
| Coefficient C | -4.12720e+01 | |||
| Temperature range, min. | 266.12 | |||
| Temperature range, max. | 405.74 | |||
| Pvap | 1.33 | kPa | 266.12 | Calculated Property |
| Pvap | 3.11 | kPa | 281.63 | Calculated Property |
| Pvap | 6.54 | kPa | 297.15 | Calculated Property |
| Pvap | 12.64 | kPa | 312.66 | Calculated Property |
| Pvap | 22.74 | kPa | 328.17 | Calculated Property |
| Pvap | 38.52 | kPa | 343.69 | Calculated Property |
| Pvap | 62.00 | kPa | 359.20 | Calculated Property |
| Pvap | 95.45 | kPa | 374.71 | Calculated Property |
| Pvap | 141.42 | kPa | 390.23 | Calculated Property |
| Pvap | 202.64 | kPa | 405.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 1-chloro-3-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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