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

[CH]12[CH]3[CH]4[CH]5[CH]1[Ni]23451678[CH]2[CH]1[CH]6[CH]7[CH]28

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	Enthalpies of sublimation of ferrocene and nickelocene measured by calorimetry and the method of Langmuir
ΔfusH°	18.00	kJ/mol	Vapor Pressures and Sublimation Enthalpies of Nickelocene and Cobaltocene Measured by Thermogravimetry
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

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
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

• 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.
• 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

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.