- InChI
- InChI=1S/C6H13Cl/c1-4-6(2,3)5-7/h4-5H2,1-3H3
- InChI Key
- JRUIYWSZTLWHME-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CCC(C)(C)CCl
- Molecular Weight1
- 120.62
- 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).
- 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 | 0.2612 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [773.00; 773.00] |
|
|
| Inp | 773.00 | NIST | |
| Inp | 773.00 | NIST | |
| Tboil | 386.25 | K | Relay (1.0) Calculated Property |
| Tc | 590.73 | K | Relay (1.0) Calculated Property |
| Tfus | 193.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.71; 338.61] | 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 | -1.41480e+01 | |||
| Coefficient B | 7.06460e-01 | |||
| Coefficient C | -4.94800e-04 | |||
| Coefficient D | 1.41100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 281.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 313.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0092209; 0.0002862] | Pa×s | [189.72; 388.61] |
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 | -1.14713e+01 | |||
| Coefficient B | 1.28726e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 189.72 | |||
| Temperature range, max. | 388.61 | |||
| η | 0.0092209 | Pa×s | 189.72 | Calculated Property |
| η | 0.0045431 | Pa×s | 211.82 | Calculated Property |
| η | 0.0025587 | Pa×s | 233.92 | Calculated Property |
| η | 0.0015912 | Pa×s | 256.02 | Calculated Property |
| η | 0.0010671 | Pa×s | 278.11 | Calculated Property |
| η | 0.0007590 | Pa×s | 300.21 | Calculated Property |
| η | 0.0005657 | Pa×s | 322.31 | Calculated Property |
| η | 0.0004378 | Pa×s | 344.41 | Calculated Property |
| η | 0.0003495 | Pa×s | 366.51 | Calculated Property |
| η | 0.0002862 | Pa×s | 388.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-2,2-dimethyl.
Sources
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