- InChI
- InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
- InChI Key
- ZDVDCDLBOLSVGM-UHFFFAOYSA-N
- Formula
- C13H11Cl
- SMILES
- ClC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 202.68
- CAS
- 90-99-3
- Other Names
-
- 1,1'-(Chloromethylene)bis(benzene)
- 1,1'-(Chloromethylene)bisbenzene
- Benzhydryl chloride
- Chlorodiphenylmethane
- Diphenylchloromethane
- Diphenylmethyl chloride
- Methane, chlorodiphenyl-
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3641 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6766.80 | kJ/mol | NIST |
| ΔfG° | 269.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | 56.10 | kJ/mol | NIST |
| ΔfusH° | 18.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.015 | Crippen Calculated Property | |
| McVol | 158.750 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [1595.70; 1595.70] |
|
|
| Inp | 1595.70 | NIST | |
| Inp | 1595.70 | NIST | |
| Tboil | 551.86 | K | Relay (1.0) Calculated Property |
| Tc | 817.60 | K | Relay (1.0) Calculated Property |
| Tfus | [290.15; 290.15] | K |
|
| Tfus | 290.15 ± 0.40 | K | NIST |
| Tfus | 290.15 ± 0.40 | K | NIST |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [290.40; 295.00] | J/mol×K | [298.50; 310.00] |
|
| Cp,liquid | 290.40 | J/mol×K | 298.50 | NIST |
| Cp,liquid | 291.00 | J/mol×K | 300.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 295.00 | J/mol×K | 310.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| ΔvapH | 70.40 | kJ/mol | 415.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 413.20 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.84; 461.77] | 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 | -6.55300e+01 | |||
| Coefficient B | 1.09370e+00 | |||
| Coefficient C | -7.69400e-04 | |||
| Coefficient D | 2.03000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 385.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 430.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 461.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041966; 0.0001767] | Pa×s | [290.15; 589.26] |
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 | -1.17134e+01 | |||
| Coefficient B | 1.81050e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 290.15 | |||
| Temperature range, max. | 589.26 | |||
| η | 0.0041966 | Pa×s | 290.15 | Calculated Property |
| η | 0.0022100 | Pa×s | 323.38 | Calculated Property |
| η | 0.0013116 | Pa×s | 356.62 | Calculated Property |
| η | 0.0008508 | Pa×s | 389.85 | Calculated Property |
| η | 0.0005908 | Pa×s | 423.09 | Calculated Property |
| η | 0.0004326 | Pa×s | 456.32 | Calculated Property |
| η | 0.0003304 | Pa×s | 489.56 | Calculated Property |
| η | 0.0002612 | Pa×s | 522.79 | Calculated Property |
| η | 0.0002124 | Pa×s | 556.02 | Calculated Property |
| η | 0.0001767 | Pa×s | 589.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [435.78; 630.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65327e+01 | |||
| Coefficient B | -7.07929e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 435.78 | |||
| Temperature range, max. | 630.88 | |||
| Pvap | 1.33 | kPa | 435.78 | Calculated Property |
| Pvap | 2.88 | kPa | 457.46 | Calculated Property |
| Pvap | 5.80 | kPa | 479.14 | Calculated Property |
| Pvap | 10.99 | kPa | 500.81 | Calculated Property |
| Pvap | 19.76 | kPa | 522.49 | Calculated Property |
| Pvap | 33.90 | kPa | 544.17 | Calculated Property |
| Pvap | 55.80 | kPa | 565.85 | Calculated Property |
| Pvap | 88.53 | kPa | 587.52 | Calculated Property |
| Pvap | 135.93 | kPa | 609.20 | Calculated Property |
| Pvap | 202.63 | kPa | 630.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(chloromethylene)bis-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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