- InChI
- InChI=1S/C6H13Cl/c1-5(7)6(2,3)4/h5H,1-4H3
- InChI Key
- COVFMDKBWYLRSV-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CC(Cl)C(C)(C)C
- Molecular Weight1
- 120.62
- Other Names
-
- (dl) 2-chloro-3,3-dimethylbutane
- 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).
- 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 | 0.2447 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) 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 | [752.00; 752.00] |
|
|
| Inp | 752.00 | NIST | |
| Inp | 752.00 | NIST | |
| Tboil | [371.00; 383.15] | K |
|
| Tboil | 371.00 ± 4.00 | K | NIST |
| Tboil | 383.15 ± 1.50 | K | NIST |
| Tc | 568.57 | K | Relay (1.0) Calculated Property |
| Tfus | 234.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.00 | kJ/mol | 362.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.40; 339.15] | 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 | -1.58300e+01 | |||
| Coefficient B | 7.12380e-01 | |||
| Coefficient C | -4.98000e-04 | |||
| Coefficient D | 1.40600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 281.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 299.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 327.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 339.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0179295; 0.0002691] | Pa×s | [174.72; 391.47] |
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 | -1.16053e+01 | |||
| Coefficient B | 1.32508e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 174.72 | |||
| Temperature range, max. | 391.47 | |||
| η | 0.0179295 | Pa×s | 174.72 | Calculated Property |
| η | 0.0071542 | Pa×s | 198.80 | Calculated Property |
| η | 0.0034816 | Pa×s | 222.89 | Calculated Property |
| η | 0.0019499 | Pa×s | 246.97 | Calculated Property |
| η | 0.0012105 | Pa×s | 271.05 | Calculated Property |
| η | 0.0008123 | Pa×s | 295.14 | Calculated Property |
| η | 0.0005789 | Pa×s | 319.22 | Calculated Property |
| η | 0.0004327 | Pa×s | 343.30 | Calculated Property |
| η | 0.0003359 | Pa×s | 367.39 | Calculated Property |
| η | 0.0002691 | Pa×s | 391.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-chloro-3,3-dimethyl.
Sources
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