- InChI
- InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
- InChI Key
- XJDNKRIXUMDJCW-UHFFFAOYSA-J
- Formula
- Cl4Ti
- SMILES
- [Cl][Ti]([Cl])([Cl])[Cl]
- Molecular Weight1
- 189.68
- CAS
- 7550-45-0
- Other Names
-
- Tetrachlorure de titane
- TiCl4
- Titaantetrachloride
- Titanic chloride
- Titanium chloride
- Titanium chloride (TiCl4)
- Titanium chloride (TiCl4) (T-4)-
- Titanium(IV) chloride
- Titanium(IV)tetrachloride
- Titantetrachlorid
- UN 1838
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- S°gas,1 bar : Molar entropy at standard conditions (1 bar) (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| EA | 2.88 ± 0.15 | eV | NIST |
| ΔfH°gas | -763.20 ± 3.00 | kJ/mol | NIST |
| IE | [11.50; 11.78] | eV |
|
| IE | Outlier 11.50 | eV | NIST |
| IE | 11.65 ± 0.15 | eV | NIST |
| IE | 11.69 | eV | NIST |
| IE | 11.76 | eV | NIST |
| IE | 11.70 | eV | NIST |
| IE | 11.70 | eV | NIST |
| IE | 11.78 ± 0.04 | eV | NIST |
| Pc | 4660.95 | kPa | Mathews (1972), critical constants of inorganic substances Compiled value |
| ρc | 570.93 ± 7.59 | kg/m3 | NIST |
| S°gas,1 bar | 353.20 ± 4.00 | J/mol×K | NIST |
| Tboil | 407.95 ± 1.00 | K | NIST |
| Tc | [638.00; 639.10] | K |
|
| Tc | 638.00 | K | Mathews (1972), critical constants of inorganic substances Compiled value |
| Tc | 639.10 ± 0.60 | K | NIST |
| Tfus | 248.64 ± 0.20 | K | NIST |
| Vc | 0.340 | m3/kmol | Mathews (1972), critical constants of inorganic substances Compiled value |
| Zc | 0.3000000 | Mathews (1972), critical constants of inorganic substances Compiled value |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 |
|---|---|---|---|---|
| ΔvapH | [37.50; 39.80] | kJ/mol | [335.00; 389.00] |
|
| ΔvapH | 39.80 | kJ/mol | 335.00 | NIST |
| ΔvapH | 37.50 | kJ/mol | 336.50 | NIST |
| ΔvapH | 37.90 | kJ/mol | 389.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.60; 108.13] | J/mol×K | [1000.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.06857e+02 | |||
| Coefficient B | 1.04948e+00 | |||
| Coefficient C | -2.84300e-01 | |||
| Coefficient D | 2.42570e-02 | |||
| Coefficient E | -1.04352e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-798.5666, G=477.9885, H=-763.1616; Data last reviewed in December, 1967 | |||
| Temperature range, min. | 1000.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 106.60 | J/mol×K | 1000.00 | Calculated Property |
| Cp,gas | 107.46 | J/mol×K | 1555.56 | Calculated Property |
| Cp,gas | 107.80 | J/mol×K | 2111.11 | Calculated Property |
| Cp,gas | 107.95 | J/mol×K | 2666.67 | Calculated Property |
| Cp,gas | 108.00 | J/mol×K | 3222.22 | Calculated Property |
| Cp,gas | 108.00 | J/mol×K | 3777.78 | Calculated Property |
| Cp,gas | 107.98 | J/mol×K | 4333.33 | Calculated Property |
| Cp,gas | 107.98 | J/mol×K | 4888.89 | Calculated Property |
| Cp,gas | 108.02 | J/mol×K | 5444.44 | Calculated Property |
| Cp,gas | 108.13 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [145.20; 151.62] | J/mol×K | [298.00; 1000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.43048e+02 | |||
| Coefficient B | 7.60036e+00 | |||
| Coefficient C | 1.53058e+00 | |||
| Coefficient D | -5.38376e-01 | |||
| Coefficient E | -2.06380e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-847.2307, G=392.5973, H=-804.1648; Data last reviewed in December, 1967 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,liquid | 145.20 | J/mol×K | 298.00 | Calculated Property |
| Cp,liquid | 145.95 | J/mol×K | 376.00 | Calculated Property |
| Cp,liquid | 146.66 | J/mol×K | 454.00 | Calculated Property |
| Cp,liquid | 147.37 | J/mol×K | 532.00 | Calculated Property |
| Cp,liquid | 148.08 | J/mol×K | 610.00 | Calculated Property |
| Cp,liquid | 148.78 | J/mol×K | 688.00 | Calculated Property |
| Cp,liquid | 149.49 | J/mol×K | 766.00 | Calculated Property |
| Cp,liquid | 150.20 | J/mol×K | 844.00 | Calculated Property |
| Cp,liquid | 150.91 | J/mol×K | 922.00 | Calculated Property |
| Cp,liquid | 151.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.06; 4686.79] | kPa | [249.05; 638.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47824e+01 | |||
| Coefficient B | -3.84261e+03 | |||
| Coefficient C | -3.09400e+01 | |||
| Temperature range, min. | 249.05 | |||
| Temperature range, max. | 638.00 | |||
| Pvap | 0.06 | kPa | 249.05 | Calculated Property |
| Pvap | 1.08 | kPa | 292.27 | Calculated Property |
| Pvap | 8.71 | kPa | 335.48 | Calculated Property |
| Pvap | 41.79 | kPa | 378.70 | Calculated Property |
| Pvap | 141.76 | kPa | 421.92 | Calculated Property |
| Pvap | 377.05 | kPa | 465.13 | Calculated Property |
| Pvap | 840.09 | kPa | 508.35 | Calculated Property |
| Pvap | 1638.66 | kPa | 551.57 | Calculated Property |
| Pvap | 2885.18 | kPa | 594.78 | Calculated Property |
| Pvap | 4686.79 | kPa | 638.00 | Calculated Property |
| Pvap | [0.09; 146.82] | kPa | [249.93; 423.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57720e+01 | |||
| Coefficient B | -4.58269e+03 | |||
| Coefficient C | 2.00000e+00 | |||
| Reference | Luchinskii, 1966 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 249.93 | |||
| Temperature range, max. | 423.00 | |||
| Pvap | 0.09 | kPa | 249.93 | Calculated Property |
| Pvap | 0.32 | kPa | 269.16 | Calculated Property |
| Pvap | 0.99 | kPa | 288.39 | Calculated Property |
| Pvap | 2.64 | kPa | 307.62 | Calculated Property |
| Pvap | 6.27 | kPa | 326.85 | Calculated Property |
| Pvap | 13.55 | kPa | 346.08 | Calculated Property |
| Pvap | 26.99 | kPa | 365.31 | Calculated Property |
| Pvap | 50.22 | kPa | 384.54 | Calculated Property |
| Pvap | 88.08 | kPa | 403.77 | Calculated Property |
| Pvap | 146.82 | kPa | 423.00 | Calculated Property |
| Pvap | [0.09; 146.82] | kPa | [249.93; 423.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57720e+01 | |||
| Coefficient B | -4.58269e+03 | |||
| Coefficient C | 2.00000e+00 | |||
| Reference | Luchinskii, 1966, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 249.93 | |||
| Temperature range, max. | 423.00 | |||
| Pvap | 0.09 | kPa | 249.93 | Calculated Property |
| Pvap | 0.32 | kPa | 269.16 | Calculated Property |
| Pvap | 0.99 | kPa | 288.39 | Calculated Property |
| Pvap | 2.64 | kPa | 307.62 | Calculated Property |
| Pvap | 6.27 | kPa | 326.85 | Calculated Property |
| Pvap | 13.55 | kPa | 346.08 | Calculated Property |
| Pvap | 26.99 | kPa | 365.31 | Calculated Property |
| Pvap | 50.22 | kPa | 384.54 | Calculated Property |
| Pvap | 88.08 | kPa | 403.77 | Calculated Property |
| Pvap | 146.82 | kPa | 423.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Titanium tetrachloride.
Sources
- Mathews (1972), critical constants of inorganic substances ChEDL chemicals 1.5.2, from Mathews, J. F. Critical Constants of Inorganic Substances. Chem. Rev. 1972, 72, 71-100.
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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