Chemical Properties of Titanocene dichloride (CAS 1271-19-8)

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)(C9C1C2C3C94)C1C5C6C7C18

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
• 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
• Dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)titanium
• Dichlorobis(«eta»5-cyclopentadienyl)titanium
• Dichlorobis(«pi»-cyclopentadienyl)titanium
• Dichlorodi-«pi»-cyclopentadienyltitanium
• 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, dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)-
• Titanium, dichlorodi-«pi»-cyclopentadienyl-
• Titanium, dichlorodi-«pi»-cyclopentadienyl-
• bis(«eta»5-Cyclopentadienyl)titanium dichloride
• bis(«eta»5-Cyclopentadienyl)titanium dichloride
• dichlorobis(«eta»-cyclopentadienyl)titanium
• dichlorobis(«eta»-cyclopentadienyl)titanium

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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
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

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[531.91; 647.52]	The Yaw...
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

• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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