Chemical Properties of Nickelocene (CAS 1271-28-9)

InChI

InChI=1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;

InChI Key

FOOKRXHSBKEWSE-UHFFFAOYSA-N

Formula

C10H10Ni

SMILES

C12C3C4C5C1[Ni]23451678C2C1C6C7C28

Molecular Weight¹

188.88

CAS

1271-28-9

Other Names

• Bis(cyclopentadienyl)nickel (II)
• Bis(«eta»5-2,4-cyclopentadien-1-yl)nickel
• Di-«pi»-cyclopentadienylnickel
• Nickel, bis(«eta»5-2,4-cyclopentadien-1-yl)-
• Nickel, bis(«eta»5-cyclopentadienyl)-
• Nickel, compd with «pi»-cyclopentadienyl (1:2)
• Nickel, di-«pi»-cyclopentadienyl-
• Nickel, dicyclopentadienyl-
• Nikelocen
• bis(.eta.5-2,4-cyclopentadien-1-yl)nickel
• bis(cyclopentadienyl)nickel(II)
• bis(«eta»5-Cyclopentadienyl) nickel
• dicyclopentadienylnickel
• «pi»-Cyclopentadienyl compd. with nickel

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	935.70	kJ/mol	NIST
BasG	907.30	kJ/mol	NIST
ΔcH°solid	[-5889.40; -5627.90]	kJ/mol
ΔcH°solid	-5878.50 ± 4.20	kJ/mol	NIST
ΔcH°solid	-5889.40 ± 1.70	kJ/mol	NIST
ΔcH°solid	-5627.90 ± 2.50	kJ/mol	NIST
ΔfH°gas	[333.50; 357.00]	kJ/mol
ΔfH°gas	357.00 ± 2.30	kJ/mol	NIST
ΔfH°gas	346.10 ± 4.50	kJ/mol	NIST
ΔfH°gas	335.20 ± 2.90	kJ/mol	NIST
ΔfH°gas	333.50 ± 3.10	kJ/mol	NIST
ΔfH°solid	[262.00; 285.50]	kJ/mol
ΔfH°solid	285.50 ± 2.20	kJ/mol	NIST
ΔfH°solid	274.60 ± 4.40	kJ/mol	NIST
ΔfH°solid	263.70 ± 2.80	kJ/mol	NIST
ΔfH°solid	262.00 ± 3.00	kJ/mol	NIST
ΔfusH°	[18.00; 19.00]	kJ/mol
ΔfusH°	19.00	kJ/mol	Enthalp...
ΔfusH°	18.00	kJ/mol	Vapor P...
ΔsubH°	[70.20; 72.40]	kJ/mol
ΔsubH°	71.50 ± 0.60	kJ/mol	NIST
ΔsubH°	70.20 ± 1.50	kJ/mol	NIST
ΔsubH°	72.40 ± 1.30	kJ/mol	NIST
IE	[6.20; 7.20]	eV
IE	6.24	eV	NIST
IE	6.80 ± 0.10	eV	NIST
IE	6.20	eV	NIST
IE	6.50 ± 0.25	eV	NIST
IE	6.80	eV	NIST
IE	7.20 ± 0.10	eV	NIST
IE	6.75	eV	NIST
IE	6.51	eV	NIST
S°solid,1 bar	[253.00; 253.10]	J/mol×K
S°solid,1 bar	253.10	J/mol×K	NIST
S°solid,1 bar	253.00	J/mol×K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[171.00; 205.60]	J/mol×K	[298.00; 298.15]
Cp,solid	171.00	J/mol×K	298.00	NIST
Cp,solid	205.40	J/mol×K	298.15	NIST
Cp,solid	205.60	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to Nickelocene.

Sources

• Enthalpies of sublimation of ferrocene and nickelocene measured by calorimetry and the method of Langmuir
• Vapor Pressures and Sublimation Enthalpies of Nickelocene and Cobaltocene Measured by Thermogravimetry
• NIST Webbook

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