- InChI
- InChI=1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3
- InChI Key
- HEMQRALQJLCVBR-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CC(C)C(C)(C)Cl
- Molecular Weight1
- 120.62
- CAS
- 594-57-0
- Other Names
-
- 2-Chloro-2,3-dimethylbutane
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : 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° | -11.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.94 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -262.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 4.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.660 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | [830.00; 836.00] |
|
|
| Inp | 831.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 830.00 | NIST | |
| I | [916.00; 927.00] |
|
|
| I | 927.00 | NIST | |
| I | 916.00 | NIST | |
| I | 919.00 | NIST | |
| Tboil | [381.65; 385.20] | K |
|
| Tboil | 385.20 | K | NIST |
| Tboil | 382.65 ± 3.00 | K | NIST |
| Tboil | 381.65 ± 1.50 | K | NIST |
| Tboil | 385.15 ± 1.50 | K | NIST |
| Tc | 558.94 | K | Joback Calculated Property |
| Tfus | 174.72 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.87; 251.32] | J/mol×K | [370.44; 558.94] |
|
| Cp,gas | 186.87 | J/mol×K | 370.44 | Joback Calculated Property |
| Cp,gas | 199.15 | J/mol×K | 401.86 | Joback Calculated Property |
| Cp,gas | 210.77 | J/mol×K | 433.27 | Joback Calculated Property |
| Cp,gas | 221.78 | J/mol×K | 464.69 | Joback Calculated Property |
| Cp,gas | 232.19 | J/mol×K | 496.11 | Joback Calculated Property |
| Cp,gas | 242.02 | J/mol×K | 527.53 | Joback Calculated Property |
| Cp,gas | 251.32 | J/mol×K | 558.94 | Joback Calculated Property |
| η | [0.0003261; 0.0179295] | Pa×s | [174.72; 370.44] |
|
| η | 0.0179295 | Pa×s | 174.72 | Joback Calculated Property |
| η | 0.0054373 | Pa×s | 207.34 | Joback Calculated Property |
| η | 0.0022808 | Pa×s | 239.96 | Joback Calculated Property |
| η | 0.0011778 | Pa×s | 272.58 | Joback Calculated Property |
| η | 0.0007005 | Pa×s | 305.20 | Joback Calculated Property |
| η | 0.0004606 | Pa×s | 337.82 | Joback Calculated Property |
| η | 0.0003261 | Pa×s | 370.44 | Joback Calculated Property |
| ΔvapH | 38.00 | kJ/mol | 363.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.21; 202.66] | kPa | [262.75; 408.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54766e+01 | |||
| Coefficient B | -3.65901e+03 | |||
| Coefficient C | -4.82220e+01 | |||
| Temperature range, min. | 262.75 | |||
| Temperature range, max. | 408.18 | |||
| Pvap | 0.21 | kPa | 262.75 | Calculated Property |
| Pvap | 0.68 | kPa | 278.91 | Calculated Property |
| Pvap | 1.92 | kPa | 295.07 | Calculated Property |
| Pvap | 4.78 | kPa | 311.23 | Calculated Property |
| Pvap | 10.69 | kPa | 327.39 | Calculated Property |
| Pvap | 21.91 | kPa | 343.54 | Calculated Property |
| Pvap | 41.66 | kPa | 359.70 | Calculated Property |
| Pvap | 74.36 | kPa | 375.86 | Calculated Property |
| Pvap | 125.68 | kPa | 392.02 | Calculated Property |
| Pvap | 202.66 | kPa | 408.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-chloro-2,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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