- InChI
- InChI=1S/C8H17Cl/c1-6-7(2,3)8(4,5)9/h6H2,1-5H3
- InChI Key
- LKNHZRZTEOZKEA-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CCC(C)(C)C(C)(C)Cl
- Molecular Weight1
- 148.67
- CAS
- 69078-89-3
- 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).
- 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 | 0.2853 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.440 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Tboil | 425.02 | K | Relay (1.0) Calculated Property |
| Tc | 640.42 | K | Relay (1.0) Calculated Property |
| Tfus | 283.75 ± 0.20 | K | NIST |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.68; 443.26] | 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 | -4.04390e+01 | |||
| Coefficient B | 1.02230e+00 | |||
| Coefficient C | -7.75400e-04 | |||
| Coefficient D | 2.36800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 428.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 443.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021416; 0.0002857] | Pa×s | [283.75; 425.46] |
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 | -1.21942e+01 | |||
| Coefficient B | 1.71612e+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. | 283.75 | |||
| Temperature range, max. | 425.46 | |||
| η | 0.0021416 | Pa×s | 283.75 | Calculated Property |
| η | 0.0015582 | Pa×s | 299.50 | Calculated Property |
| η | 0.0011704 | Pa×s | 315.24 | Calculated Property |
| η | 0.0009034 | Pa×s | 330.99 | Calculated Property |
| η | 0.0007139 | Pa×s | 346.73 | Calculated Property |
| η | 0.0005758 | Pa×s | 362.48 | Calculated Property |
| η | 0.0004728 | Pa×s | 378.23 | Calculated Property |
| η | 0.0003943 | Pa×s | 393.97 | Calculated Property |
| η | 0.0003336 | Pa×s | 409.72 | Calculated Property |
| η | 0.0002857 | Pa×s | 425.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloro-2,3,3-trimethylpentane.
Sources
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