- InChI
- InChI=1S/C15H14Cl2/c1-10(2)11-4-3-5-12(6-11)13-7-14(16)9-15(17)8-13/h3-10H,1-2H3
- InChI Key
- DSZFGTSITMUDEZ-UHFFFAOYSA-N
- Formula
- C15H14Cl2
- SMILES
-
CC(C)c1cccc(-c2cc(Cl)cc(Cl)c2)
c1 - Molecular Weight1
- 265.18
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4914 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.784 | Crippen Calculated Property | |
| McVol | 199.170 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| Inp | [2019.00; 2019.00] |
|
|
| Inp | 2019.00 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 608.21 | K | Relay (1.0) Calculated Property |
| Tc | 842.71 | K | Relay (1.0) Calculated Property |
| Tfus | 309.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.32; 564.10] | 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 | -1.15600e+01 | |||
| Coefficient B | 1.11204e+00 | |||
| Coefficient C | -6.97480e-04 | |||
| Coefficient D | 1.61100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 243.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 301.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 398.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 437.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 471.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 500.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 525.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 546.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011855; 0.0001552] | Pa×s | [394.05; 653.89] |
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 | -1.18546e+01 | |||
| Coefficient B | 2.01636e+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. | 394.05 | |||
| Temperature range, max. | 653.89 | |||
| η | 0.0011855 | Pa×s | 394.05 | Calculated Property |
| η | 0.0008360 | Pa×s | 422.92 | Calculated Property |
| η | 0.0006164 | Pa×s | 451.79 | Calculated Property |
| η | 0.0004715 | Pa×s | 480.66 | Calculated Property |
| η | 0.0003717 | Pa×s | 509.53 | Calculated Property |
| η | 0.0003007 | Pa×s | 538.40 | Calculated Property |
| η | 0.0002485 | Pa×s | 567.28 | Calculated Property |
| η | 0.0002092 | Pa×s | 596.15 | Calculated Property |
| η | 0.0001789 | Pa×s | 625.02 | Calculated Property |
| η | 0.0001552 | Pa×s | 653.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,5-dichloro-3'-isopropyl.
Sources
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