- InChI
- InChI=1S/C13H19Cl/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2
- InChI Key
- PNUBJDFTMKBZJK-UHFFFAOYSA-N
- Formula
- C13H19Cl
- SMILES
- ClCCCCCCCc1ccccc1
- Molecular Weight1
- 210.74
- CAS
- 71434-47-4
- Other Names
-
- 1-Chloro-7-phenylheptane
- 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 | 0.5857 | Relay (1.0) Calculated Property | |
| ΔfG° | 159.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.418 | Crippen Calculated Property | |
| McVol | 182.510 | ml/mol | McGowan Calculated Property |
| Pc | 2119.73 | kPa | Joback Calculated Property |
| Tboil | 553.61 | K | Relay (1.0) Calculated Property |
| Tc | 768.59 | K | Relay (1.0) Calculated Property |
| Tfus | 253.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.41; 579.76] | 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 | -2.99430e+01 | |||
| Coefficient B | 1.16670e+00 | |||
| Coefficient C | -7.35000e-04 | |||
| Coefficient D | 1.78000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 352.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 400.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 442.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 478.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 509.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 536.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 559.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 579.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033048; 0.0002254] | Pa×s | [292.61; 533.76] |
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 | -1.16563e+01 | |||
| Coefficient B | 1.73926e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 292.61 | |||
| Temperature range, max. | 533.76 | |||
| η | 0.0033048 | Pa×s | 292.61 | Calculated Property |
| η | 0.0020072 | Pa×s | 319.40 | Calculated Property |
| η | 0.0013169 | Pa×s | 346.20 | Calculated Property |
| η | 0.0009180 | Pa×s | 372.99 | Calculated Property |
| η | 0.0006716 | Pa×s | 399.79 | Calculated Property |
| η | 0.0005110 | Pa×s | 426.58 | Calculated Property |
| η | 0.0004016 | Pa×s | 453.38 | Calculated Property |
| η | 0.0003242 | Pa×s | 480.17 | Calculated Property |
| η | 0.0002677 | Pa×s | 506.96 | Calculated Property |
| η | 0.0002254 | Pa×s | 533.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Phenyl-1-heptyl chloride.
Sources
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