- InChI
- InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
- InChI Key
- ORVMIVQULIKXCP-UHFFFAOYSA-N
- Formula
- C6H5Cl3Si
- SMILES
- Cl[Si](Cl)(Cl)c1ccccc1
- Molecular Weight1
- 211.55
- CAS
- 98-13-5
- Other Names
-
- CP0280
- Phenylsilicon trichloride
- Silane, phenyltrichloro-
- Silane, trichlorophenyl-
- Silicon phenyl trichloride
- Trichlorophenylsilane
- UN 1804
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -97.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.10; 9.55] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.55 | eV | NIST |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.549 | Crippen Calculated Property | |
| Pc | 2908.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1144.00; 1144.00] |
|
|
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| S°liquid | 314.70 | J/mol×K | NIST |
| Tboil | 474.00 | K | NIST |
| Tfus | 213.94 | K | Relay (1.0) Calculated Property |
| Ttriple | 233.40 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 220.70 | J/mol×K | 298.15 | NIST |
| ΔfusH | [11.66; 11.66] | kJ/mol | [233.40; 233.40] |
|
| ΔfusH | 11.66 | kJ/mol | 233.40 | NIST |
| ΔfusH | 11.66 | kJ/mol | 233.40 | NIST |
| ΔfusH | 11.66 | kJ/mol | 233.40 | NIST |
| ΔvapH | [47.90; 51.10] | kJ/mol | [393.00; 422.50] |
|
| ΔvapH | 51.10 | kJ/mol | 393.00 | NIST |
| ΔvapH | 47.90 | kJ/mol | 422.50 | NIST |
| ΔfusS | 49.96 | J/mol×K | 233.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [350.12; 505.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45369e+01 | |||
| Coefficient B | -4.07367e+03 | |||
| Coefficient C | -6.42400e+01 | |||
| Temperature range, min. | 350.12 | |||
| Temperature range, max. | 505.81 | |||
| Pvap | 1.33 | kPa | 350.12 | Calculated Property |
| Pvap | 3.01 | kPa | 367.42 | Calculated Property |
| Pvap | 6.21 | kPa | 384.72 | Calculated Property |
| Pvap | 11.90 | kPa | 402.02 | Calculated Property |
| Pvap | 21.42 | kPa | 419.32 | Calculated Property |
| Pvap | 36.50 | kPa | 436.61 | Calculated Property |
| Pvap | 59.32 | kPa | 453.91 | Calculated Property |
| Pvap | 92.50 | kPa | 471.21 | Calculated Property |
| Pvap | 139.12 | kPa | 488.51 | Calculated Property |
| Pvap | 202.66 | kPa | 505.81 | Calculated Property |
| Pvap | [4.50; 93.46] | kPa | [374.80; 470.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40649e+01 | |||
| Coefficient B | -3.77854e+03 | |||
| Coefficient C | -7.40000e+01 | |||
| Reference | Jenkins and Chambers, 1954 | |||
| Temperature range, min. | 374.80 | |||
| Temperature range, max. | 470.60 | |||
| Pvap | 4.50 | kPa | 374.80 | Calculated Property |
| Pvap | 6.91 | kPa | 385.44 | Calculated Property |
| Pvap | 10.31 | kPa | 396.09 | Calculated Property |
| Pvap | 15.01 | kPa | 406.73 | Calculated Property |
| Pvap | 21.35 | kPa | 417.38 | Calculated Property |
| Pvap | 29.72 | kPa | 428.02 | Calculated Property |
| Pvap | 40.58 | kPa | 438.67 | Calculated Property |
| Pvap | 54.44 | kPa | 449.31 | Calculated Property |
| Pvap | 71.86 | kPa | 459.96 | Calculated Property |
| Pvap | 93.46 | kPa | 470.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl trichlorosilane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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