- InChI
- InChI=1S/C14H21Cl/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
- InChI Key
- GVDYDOFBAKCSGC-UHFFFAOYSA-N
- Formula
- C14H21Cl
- SMILES
- ClCCCCCCCCc1ccccc1
- Molecular Weight1
- 224.78
- 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 | 0.6306 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.809 | Crippen Calculated Property | |
| McVol | 196.600 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Tboil | 566.99 | K | Relay (1.0) Calculated Property |
| Tc | 779.63 | K | Relay (1.0) Calculated Property |
| Tfus | 263.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.743 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.62; 631.35] | 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 | -3.08520e+01 | |||
| Coefficient B | 1.26170e+00 | |||
| Coefficient C | -7.89400e-04 | |||
| Coefficient D | 1.89900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 383.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 435.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 609.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 631.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031589; 0.0002152] | Pa×s | [303.88; 547.79] |
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 | -1.17909e+01 | |||
| Coefficient B | 1.83342e+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. | 303.88 | |||
| Temperature range, max. | 547.79 | |||
| η | 0.0031589 | Pa×s | 303.88 | Calculated Property |
| η | 0.0019275 | Pa×s | 330.98 | Calculated Property |
| η | 0.0012674 | Pa×s | 358.08 | Calculated Property |
| η | 0.0008840 | Pa×s | 385.18 | Calculated Property |
| η | 0.0006465 | Pa×s | 412.28 | Calculated Property |
| η | 0.0004914 | Pa×s | 439.38 | Calculated Property |
| η | 0.0003856 | Pa×s | 466.48 | Calculated Property |
| η | 0.0003108 | Pa×s | 493.58 | Calculated Property |
| η | 0.0002562 | Pa×s | 520.68 | Calculated Property |
| η | 0.0002152 | Pa×s | 547.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-8-phenyloctane.
Sources
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