- InChI
- InChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m1/s1
- InChI Key
- IWAKWOFEHSYKSI-RXMQYKEDSA-N
- Formula
- C5H11Cl
- SMILES
- CCC(C)CCl
- Molecular Weight1
- 106.59
- CAS
- 40560-29-0
- 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 | 0.2775 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.271 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Tboil | [372.65; 372.70] | K |
|
| Tboil | 372.65 ± 1.00 | K | NIST |
| Tboil | 372.70 ± 3.00 | K | NIST |
| Tc | 561.39 | K | Relay (1.0) Calculated Property |
| Tfus | 154.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.64; 286.09] | 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 | 9.55200e+00 | |||
| Coefficient B | 4.91540e-01 | |||
| Coefficient C | -2.71800e-04 | |||
| Coefficient D | 5.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 176.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 198.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 218.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 235.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 250.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 264.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 286.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078623; 0.0002447] | Pa×s | [161.03; 369.45] |
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 | -1.09960e+01 | |||
| Coefficient B | 9.90380e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 161.03 | |||
| Temperature range, max. | 369.45 | |||
| η | 0.0078623 | Pa×s | 161.03 | Calculated Property |
| η | 0.0036284 | Pa×s | 184.19 | Calculated Property |
| η | 0.0019902 | Pa×s | 207.35 | Calculated Property |
| η | 0.0012317 | Pa×s | 230.50 | Calculated Property |
| η | 0.0008320 | Pa×s | 253.66 | Calculated Property |
| η | 0.0006002 | Pa×s | 276.82 | Calculated Property |
| η | 0.0004553 | Pa×s | 299.98 | Calculated Property |
| η | 0.0003594 | Pa×s | 323.14 | Calculated Property |
| η | 0.0002928 | Pa×s | 346.29 | Calculated Property |
| η | 0.0002447 | Pa×s | 369.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-2-methyl-, (S)-.
Sources
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