- InChI
- InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3
- InChI Key
- JMTRCXPSDMMAGM-UHFFFAOYSA-N
- Formula
- C5H11Cl
- SMILES
- CC(C)C(C)Cl
- Molecular Weight1
- 106.59
- CAS
- 631-65-2
- Other Names
-
- (+/-)-2-Chloro-3-methyl-butane
- 2-Chloro-3-methylbutane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.2679 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.270 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Inp | [662.00; 684.00] |
|
|
| Inp | 662.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 684.00 | NIST | |
| Tboil | 366.15 ± 1.00 | K | NIST |
| Tc | 544.86 | K | Relay (1.0) Calculated Property |
| Tfus | 190.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.82; 203.02] | J/mol×K | [350.35; 531.42] |
|
| Cp,gas | 150.82 | J/mol×K | 350.35 | Joback Calculated Property |
| Cp,gas | 160.45 | J/mol×K | 380.53 | Joback Calculated Property |
| Cp,gas | 169.69 | J/mol×K | 410.71 | Joback Calculated Property |
| Cp,gas | 178.56 | J/mol×K | 440.88 | Joback Calculated Property |
| Cp,gas | 187.07 | J/mol×K | 471.06 | Joback Calculated Property |
| Cp,gas | 195.21 | J/mol×K | 501.24 | Joback Calculated Property |
| Cp,gas | 203.02 | J/mol×K | 531.42 | Joback Calculated Property |
| η | [0.0002760; 0.0167571] | Pa×s | [146.03; 350.35] |
|
| η | 0.0167571 | Pa×s | 146.03 | Joback Calculated Property |
| η | 0.0044255 | Pa×s | 180.08 | Joback Calculated Property |
| η | 0.0017850 | Pa×s | 214.14 | Joback Calculated Property |
| η | 0.0009237 | Pa×s | 248.19 | Joback Calculated Property |
| η | 0.0005603 | Pa×s | 282.24 | Joback Calculated Property |
| η | 0.0003785 | Pa×s | 316.30 | Joback Calculated Property |
| η | 0.0002760 | Pa×s | 350.35 | Joback Calculated Property |
| ΔvapH | 35.90 | kJ/mol | 345.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [273.76; 388.27] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54405e+01 | |||
| Coefficient B | -3.49844e+03 | |||
| Coefficient C | -4.28840e+01 | |||
| Temperature range, min. | 273.76 | |||
| Temperature range, max. | 388.27 | |||
| Pvap | 1.33 | kPa | 273.76 | Calculated Property |
| Pvap | 2.94 | kPa | 286.48 | Calculated Property |
| Pvap | 6.00 | kPa | 299.21 | Calculated Property |
| Pvap | 11.44 | kPa | 311.93 | Calculated Property |
| Pvap | 20.58 | kPa | 324.65 | Calculated Property |
| Pvap | 35.20 | kPa | 337.38 | Calculated Property |
| Pvap | 57.57 | kPa | 350.10 | Calculated Property |
| Pvap | 90.54 | kPa | 362.82 | Calculated Property |
| Pvap | 137.56 | kPa | 375.55 | Calculated Property |
| Pvap | 202.64 | kPa | 388.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-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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