- InChI
- InChI=1S/C12H17Cl/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
- InChI Key
- RCVNHNOEUMFFDY-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- ClCCCCCCc1ccccc1
- Molecular Weight1
- 196.72
- 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 | 0.5389 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.028 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 539.46 | K | Relay (1.0) Calculated Property |
| Tc | 756.37 | K | Relay (1.0) Calculated Property |
| Tfus | 244.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.20; 528.17] | 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 | -2.90340e+01 | |||
| Coefficient B | 1.07170e+00 | |||
| Coefficient C | -6.80600e-04 | |||
| Coefficient D | 1.66100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 365.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 403.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 436.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 464.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 488.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 510.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 528.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034175; 0.0002337] | Pa×s | [281.34; 519.84] |
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 | -1.15262e+01 | |||
| Coefficient B | 1.64510e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 281.34 | |||
| Temperature range, max. | 519.84 | |||
| η | 0.0034175 | Pa×s | 281.34 | Calculated Property |
| η | 0.0020659 | Pa×s | 307.84 | Calculated Property |
| η | 0.0013525 | Pa×s | 334.34 | Calculated Property |
| η | 0.0009423 | Pa×s | 360.84 | Calculated Property |
| η | 0.0006898 | Pa×s | 387.34 | Calculated Property |
| η | 0.0005256 | Pa×s | 413.84 | Calculated Property |
| η | 0.0004138 | Pa×s | 440.34 | Calculated Property |
| η | 0.0003347 | Pa×s | 466.84 | Calculated Property |
| η | 0.0002770 | Pa×s | 493.34 | Calculated Property |
| η | 0.0002337 | Pa×s | 519.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-6-phenylhexane.
Sources
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