- InChI
- InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
- InChI Key
- IJOOHPMOJXWVHK-UHFFFAOYSA-N
- Formula
- C3H9ClSi
- SMILES
- C[Si](C)(C)Cl
- Molecular Weight1
- 108.64
- CAS
- 75-77-4
- Other Names
-
- (CH3)3SiCl
- KA 31
- Monochlorotrimethylsilane
- Monochlorotrimethylsilicon
- NSC 15750
- Silane, trimethylchloro-
- Silicane, chlorotrimethyl-
- Silylium, trimethyl-, chloride
- TL 1163
- TSL 8031
- Trimethylsilane chloride
- Trimethylsilyl chloride
- UN 1298
- chlorotrimethylsilane
- trimethylchlorosilane
- ω : Acentric Factor.
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- 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).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2674 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔvapH° | 32.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.90; 10.84] | eV |
|
| IE | 10.83 ± 0.02 | eV | NIST |
| IE | 10.65 ± 0.02 | eV | NIST |
| IE | 10.83 ± 0.02 | eV | NIST |
| IE | 10.83 ± 0.02 | eV | NIST |
| IE | Outlier 9.90 ± 0.10 | eV | NIST |
| IE | 10.58 ± 0.04 | eV | NIST |
| IE | 10.71 | eV | NIST |
| IE | 10.84 | eV | NIST |
| IE | 10.76 | eV | NIST |
| logPoct/wat | 2.060 | Crippen Calculated Property | |
| Pc | [3200.00; 3201.87] | kPa |
|
| Pc | 3200.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Pc | 3201.87 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3200.00 ± 11.14 | kPa | NIST |
| ρc | 296.59 ± 3.26 | kg/m3 | NIST |
| Inp | [552.00; 560.00] |
|
|
| Inp | 555.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 552.40 | NIST | |
| Inp | 553.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 555.00 | NIST | |
| S°liquid | 275.10 | J/mol×K | NIST |
| Tboil | [330.00; 331.00] | K |
|
| Tboil | 330.00 | K | NIST |
| Tboil | 330.75 ± 0.50 | K | NIST |
| Tboil | 331.00 ± 3.00 | K | NIST |
| Tboil | 330.85 ± 0.50 | K | NIST |
| Tc | [497.80; 497.80] | K |
|
| Tc | 497.80 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Tc | 497.80 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 497.80 ± 0.30 | K | NIST |
| Tfus | [215.15; 233.00] | K |
|
| Tfus | 215.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 233.00 ± 5.00 | K | NIST |
| Ttriple | [217.97; 217.97] | K |
|
| Ttriple | 217.97 ± 0.02 | K | NIST |
| Ttriple | 217.97 ± 0.02 | K | NIST |
| Vc | [0.366; 0.366] | m3/kmol |
|
| Vc | 0.366 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Vc | 0.366 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Zc | 0.2830000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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 | 187.50 | J/mol×K | 298.15 | NIST |
| ΔfusH | [0.70; 9.68] | kJ/mol | [185.10; 218.00] |
|
| ΔfusH | 0.70 | kJ/mol | 185.10 | NIST |
| ΔfusH | 9.68 | kJ/mol | 218.00 | NIST |
| ΔfusH | 9.68 | kJ/mol | 218.00 | NIST |
| ΔvapH | [30.20; 30.80] | kJ/mol | [299.50; 302.50] |
|
| ΔvapH | 30.80 | kJ/mol | 299.50 | NIST |
| ΔvapH | 30.20 | kJ/mol | 302.50 | NIST |
| ΔfusS | [3.75; 44.42] | J/mol×K | [185.10; 218.00] |
|
| ΔfusS | 3.75 | J/mol×K | 185.10 | NIST |
| ΔfusS | 44.42 | J/mol×K | 218.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 3344.43] | kPa | [235.35; 497.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41647e+01 | |||
| Coefficient B | -2.77060e+03 | |||
| Coefficient C | -3.97750e+01 | |||
| Temperature range, min. | 235.35 | |||
| Temperature range, max. | 497.75 | |||
| Pvap | 1.00 | kPa | 235.35 | Calculated Property |
| Pvap | 6.27 | kPa | 264.51 | Calculated Property |
| Pvap | 25.84 | kPa | 293.66 | Calculated Property |
| Pvap | 79.52 | kPa | 322.82 | Calculated Property |
| Pvap | 198.38 | kPa | 351.97 | Calculated Property |
| Pvap | 423.35 | kPa | 381.13 | Calculated Property |
| Pvap | 801.83 | kPa | 410.28 | Calculated Property |
| Pvap | 1383.54 | kPa | 439.44 | Calculated Property |
| Pvap | 2216.61 | kPa | 468.59 | Calculated Property |
| Pvap | 3344.43 | kPa | 497.75 | Calculated Property |
| Pvap | [10.43; 86.31] | kPa | [274.30; 326.03] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37363e+01 | |||
| Coefficient B | -2.58737e+03 | |||
| Coefficient C | -4.71710e+01 | |||
| Reference | Capková and Fried, 1964 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 274.30 | |||
| Temperature range, max. | 326.03 | |||
| Pvap | 10.43 | kPa | 274.30 | Calculated Property |
| Pvap | 13.82 | kPa | 280.05 | Calculated Property |
| Pvap | 18.06 | kPa | 285.80 | Calculated Property |
| Pvap | 23.30 | kPa | 291.54 | Calculated Property |
| Pvap | 29.72 | kPa | 297.29 | Calculated Property |
| Pvap | 37.49 | kPa | 303.04 | Calculated Property |
| Pvap | 46.82 | kPa | 308.79 | Calculated Property |
| Pvap | 57.91 | kPa | 314.53 | Calculated Property |
| Pvap | 71.00 | kPa | 320.28 | Calculated Property |
| Pvap | 86.31 | kPa | 326.03 | Calculated Property |
| Pvap | [11.67; 95.46] | kPa | [275.80; 328.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39892e+01 | |||
| Coefficient B | -2.74238e+03 | |||
| Coefficient C | -3.80000e+01 | |||
| Reference | Jenkins and Chambers, 1954 | |||
| Temperature range, min. | 275.80 | |||
| Temperature range, max. | 328.80 | |||
| Pvap | 11.67 | kPa | 275.80 | Calculated Property |
| Pvap | 15.42 | kPa | 281.69 | Calculated Property |
| Pvap | 20.11 | kPa | 287.58 | Calculated Property |
| Pvap | 25.91 | kPa | 293.47 | Calculated Property |
| Pvap | 32.99 | kPa | 299.36 | Calculated Property |
| Pvap | 41.58 | kPa | 305.24 | Calculated Property |
| Pvap | 51.87 | kPa | 311.13 | Calculated Property |
| Pvap | 64.12 | kPa | 317.02 | Calculated Property |
| Pvap | 78.56 | kPa | 322.91 | Calculated Property |
| Pvap | 95.46 | kPa | 328.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.02; 0.01] | N/m | [233.15; 330.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 4.34106e-02 | |||
| Coefficient B | -8.75000e-05 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 233.15 | |||
| Temperature range, max. | 330.15 | |||
| γ | 0.02 | N/m | 233.15 | Calculated Property |
| γ | 0.02 | N/m | 243.93 | Calculated Property |
| γ | 0.02 | N/m | 254.71 | Calculated Property |
| γ | 0.02 | N/m | 265.48 | Calculated Property |
| γ | 0.02 | N/m | 276.26 | Calculated Property |
| γ | 0.02 | N/m | 287.04 | Calculated Property |
| γ | 0.02 | N/m | 297.82 | Calculated Property |
| γ | 0.02 | N/m | 308.59 | Calculated Property |
| γ | 0.02 | N/m | 319.37 | Calculated Property |
| γ | 0.01 | N/m | 330.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Silane, chlorotrimethyl-.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- High-pressure phase equilibria for chlorosilane + carbon dioxide mixtures
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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