Chemical Properties of Aniline chromium tricarbonyl (CAS 12108-11-1)

InChI

InChI=1S/C6H7N.3CO.Cr/c7-6-4-2-1-3-5-6;3*1-2;/h1-5H,7H2;;;;

InChI Key

GTBALQYIHQCPIJ-UHFFFAOYSA-N

Formula

C9H7CrNO3

SMILES

Nc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Molecular Weight¹

229.15

CAS

12108-11-1

Other Names

• Chromium, («eta»(6)-benzenamine)tricarbonyl-
• («pi»-aniline)tricarbonylchromium

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	-0.1626		Relay (1.0) Calculated Property
ΔfG°	54.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-328.84	kJ/mol	Relay (1.0) Calculated Property
IE	[6.50; 7.05]	eV
IE	6.50 ± 0.10	eV	NIST
IE	7.05	eV	NIST
log10WS	-0.93		Relay (1.0) Calculated Property
Pc	2532.14	kPa	Relay (1.0-beta) Calculated Property
Tboil	636.30	K	Relay (1.0) Calculated Property
Tc	581.92	K	Relay (1.0) Calculated Property
Tfus	373.11	K	Relay (1.0) Calculated Property
Vc	0.216	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Aniline chromium tricarbonyl.

Sources

• Cheméo Relay (1.0)
• 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

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