- InChI
- InChI=1S/C5H9Cl/c1-4-5(2,3)6/h4H,1H2,2-3H3
- InChI Key
- KECJPTAJLDCQHM-UHFFFAOYSA-N
- Formula
- C5H9Cl
- SMILES
- C=CC(C)(C)Cl
- Molecular Weight1
- 104.58
- CAS
- 2190-48-9
- 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).
- 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 |
|---|---|---|---|
| ω | 0.1768 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.190 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Inp | [642.00; 642.00] |
|
|
| Inp | 642.00 | NIST | |
| Inp | 642.00 | NIST | |
| Tboil | 340.20 | K | Relay (1.0) Calculated Property |
| Tc | 545.87 | K | Relay (1.0) Calculated Property |
| Tfus | 181.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.331 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.69; 258.51] | 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 | -1.62300e+01 | |||
| Coefficient B | 5.91440e-01 | |||
| Coefficient C | -4.63300e-04 | |||
| Coefficient D | 1.46600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 113.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 165.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 185.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 202.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 240.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 249.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 258.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0074890; 0.0002591] | Pa×s | [176.69; 373.52] |
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 | -1.12780e+01 | |||
| Coefficient B | 1.12794e+03 | |||
| 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. | 176.69 | |||
| Temperature range, max. | 373.52 | |||
| η | 0.0074890 | Pa×s | 176.69 | Calculated Property |
| η | 0.0037073 | Pa×s | 198.56 | Calculated Property |
| η | 0.0021100 | Pa×s | 220.43 | Calculated Property |
| η | 0.0013295 | Pa×s | 242.30 | Calculated Property |
| η | 0.0009043 | Pa×s | 264.17 | Calculated Property |
| η | 0.0006524 | Pa×s | 286.04 | Calculated Property |
| η | 0.0004931 | Pa×s | 307.91 | Calculated Property |
| η | 0.0003867 | Pa×s | 329.78 | Calculated Property |
| η | 0.0003126 | Pa×s | 351.65 | Calculated Property |
| η | 0.0002591 | Pa×s | 373.52 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [260.52; 408.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.28437e+01 | |||
| Coefficient B | -2.77734e+03 | |||
| Coefficient C | -3.93260e+01 | |||
| Temperature range, min. | 260.52 | |||
| Temperature range, max. | 408.05 | |||
| Pvap | 1.33 | kPa | 260.52 | Calculated Property |
| Pvap | 3.17 | kPa | 276.91 | Calculated Property |
| Pvap | 6.74 | kPa | 293.30 | Calculated Property |
| Pvap | 13.08 | kPa | 309.70 | Calculated Property |
| Pvap | 23.54 | kPa | 326.09 | Calculated Property |
| Pvap | 39.74 | kPa | 342.48 | Calculated Property |
| Pvap | 63.57 | kPa | 358.87 | Calculated Property |
| Pvap | 97.16 | kPa | 375.27 | Calculated Property |
| Pvap | 142.73 | kPa | 391.66 | Calculated Property |
| Pvap | 202.63 | kPa | 408.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-3-methyl-1-butene.
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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