- InChI
- InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m0/s1
- InChI Key
- BSPCSKHALVHRSR-BYPYZUCNSA-N
- Formula
- C4H9Cl
- SMILES
- CCC(C)Cl
- Molecular Weight1
- 92.57
- CAS
- 22157-31-9
- 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 | 0.2403 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.024 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 336.14 | K | Relay (1.0) Calculated Property |
| Tc | 524.07 | K | Relay (1.0) Calculated Property |
| Tfus | 133.15 ± 0.50 | K | NIST |
| Vc | 0.294 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.43; 234.50] | 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 | 1.04610e+01 | |||
| Coefficient B | 3.96540e-01 | |||
| Coefficient C | -2.17400e-04 | |||
| Coefficient D | 4.49000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 179.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 193.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 205.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 216.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 226.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 234.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0148889; 0.0002244] | Pa×s | [133.15; 353.39] |
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 | -1.09380e+01 | |||
| Coefficient B | 8.96220e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 133.15 | |||
| Temperature range, max. | 353.39 | |||
| η | 0.0148889 | Pa×s | 133.15 | Calculated Property |
| η | 0.0052364 | Pa×s | 157.62 | Calculated Property |
| η | 0.0024389 | Pa×s | 182.09 | Calculated Property |
| η | 0.0013613 | Pa×s | 206.56 | Calculated Property |
| η | 0.0008598 | Pa×s | 231.03 | Calculated Property |
| η | 0.0005930 | Pa×s | 255.50 | Calculated Property |
| η | 0.0004364 | Pa×s | 279.97 | Calculated Property |
| η | 0.0003374 | Pa×s | 304.44 | Calculated Property |
| η | 0.0002710 | Pa×s | 328.91 | Calculated Property |
| η | 0.0002244 | Pa×s | 353.39 | Calculated Property |
Similar Compounds
Find more compounds similar to (R)-(-)-2-chlorobutane.
Sources
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