- InChI
- InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
- InChI Key
- XKLWATAZDMHTSH-UHFFFAOYSA-L
- Formula
- C10H10Cl2Ti
- SMILES
-
[Cl][Ti]12345678([Cl])([CH]9[C
H]1[CH]2[CH]3[CH]94)[CH]1[CH]5 [CH]6[CH]7[CH]18 - Molecular Weight1
- 248.96
- CAS
- 1271-19-8
- Other Names
-
- Bis(cyclopentadienyl)dichlorotitanium
- Bis(cyclopentadienyl)titanium dichloride
- Bis(«pi»-cyclopentadienyl)dichlorotitanium
- Bis(«pi»-cyclopentadienyl)titanium dichloride
- Dichlorobis(1,3-cyclopentadiene)titanium
- Dichlorobis(cyclopentadienyl)titanium
- Dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)titanium
- Dichlorobis(«eta»5-cyclopentadienyl)titanium
- Dichlorobis(«pi»-cyclopentadienyl)titanium
- Dichlorodi-«pi»-cyclopentadienyltitanium
- Dichlorodicyclopentadienyltitanium
- Dichlorotitanocene
- Dicyclopentadienyldichlorotitanium
- Dicyclopentadienyltitanium dichloride
- NCI-C04502
- NSC 78453
- Titanium, bis(cyclopentadienyl)dichloride-
- Titanium, dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)-
- Titanium, dichlorodi-«pi»-cyclopentadienyl-
- bis(«eta»5-Cyclopentadienyl)titanium dichloride
- dichlorobis(«eta»-cyclopentadienyl)titanium
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- Pvap : Vapor pressure (kPa).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-5971.40; -5715.00] | kJ/mol |
|
| ΔcH°solid | -5715.00 ± 21.00 | kJ/mol | NIST |
| ΔcH°solid | -5849.00 ± 21.00 | kJ/mol | NIST |
| ΔcH°solid | -5971.40 ± 7.50 | kJ/mol | NIST |
| ΔfH°gas | [-564.00; -264.80] | kJ/mol |
|
| ΔfH°gas | -264.80 ± 8.00 | kJ/mol | NIST |
| ΔfH°gas | -542.00 ± 21.00 | kJ/mol | NIST |
| ΔfH°gas | -564.00 ± 21.00 | kJ/mol | NIST |
| ΔfH°solid | [-661.00; -383.60] | kJ/mol |
|
| ΔfH°solid | -383.60 ± 7.70 | kJ/mol | NIST |
| ΔfH°solid | -639.00 ± 21.00 | kJ/mol | NIST |
| ΔfH°solid | -661.00 ± 21.00 | kJ/mol | NIST |
| ΔsubH° | [96.20; 124.40] | kJ/mol |
|
| ΔsubH° | 102.00 ± 13.00 | kJ/mol | NIST |
| ΔsubH° | 124.40 ± 2.90 | kJ/mol | NIST |
| ΔsubH° | 118.80 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 118.80 ± 2.10 | kJ/mol | NIST |
| ΔsubH° | 96.20 | kJ/mol | NIST |
| ΔsubH° | 96.70 | kJ/mol | NIST |
| IE | [8.46; 8.98] | eV |
|
| IE | 8.98 ± 0.16 | eV | NIST |
| IE | 8.50 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 8.46 ± 0.05 | eV | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 |
|---|---|---|---|---|
| ΔsubH | 124.40 | kJ/mol | 475.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [531.91; 647.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.84254e+01 | |||
| Coefficient B | -1.49668e+04 | |||
| Temperature range, min. | 531.91 | |||
| Temperature range, max. | 647.52 | |||
| Pvap | 1.33 | kPa | 531.91 | Calculated Property |
| Pvap | 2.59 | kPa | 544.76 | Calculated Property |
| Pvap | 4.87 | kPa | 557.60 | Calculated Property |
| Pvap | 8.92 | kPa | 570.45 | Calculated Property |
| Pvap | 15.90 | kPa | 583.29 | Calculated Property |
| Pvap | 27.64 | kPa | 596.14 | Calculated Property |
| Pvap | 46.93 | kPa | 608.98 | Calculated Property |
| Pvap | 77.98 | kPa | 621.83 | Calculated Property |
| Pvap | 126.92 | kPa | 634.67 | Calculated Property |
| Pvap | 202.63 | kPa | 647.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Titanocene dichloride.
Sources
- 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.
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.