Chemical Properties of (Methylbenzene)tricarbonylchromium (CAS 12083-24-8)

InChI

InChI=1S/C7H8.3CO.Cr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;

InChI Key

KEXFCQUTYPQKCG-UHFFFAOYSA-N

Formula

C10H8CrO3

SMILES

Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Molecular Weight¹

228.16

CAS

12083-24-8

Other Names

• Chromium, tricarbonyl[«eta»6-methylbenzene]
• Toluene chromium tricarbonyl
• Chromium, tricarbonyl[(1,2,3,4,5,6-«eta»)-methylbenzene]-
• Chromium, tricarbonyl(toluene)-
• Toluenetricarbonylchromium
• «pi»-Toluenetricarbonylchromium
• Toluentrikarbonylchromium
• «pi»-(Tricarbonylchromium)toluene
• Tricarbonyl(methylbenzene)chromium
• Tricarbonyl(toluene)chromium
• Chromium,tricarbonyl[(1,2,3,4,5,6-«eta»6)-methylbenzene]-
• tricarbonyl[(1,2,3,4,5,6-«eta»)-toluene]chromium

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (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 standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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	-0.3084		Relay (1.0) Calculated Property
ΔfG°	-0.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	[-382.70; -339.10]	kJ/mol
ΔfH°gas	-382.70 ± 4.70	kJ/mol	NIST
ΔfH°gas	-379.20 ± 4.60	kJ/mol	NIST
ΔfH°gas	-339.10 ± 6.30	kJ/mol	NIST
ΔfH°solid	[-475.70; -432.10]	kJ/mol
ΔfH°solid	-475.70 ± 4.30	kJ/mol	NIST
ΔfH°solid	-472.20 ± 4.10	kJ/mol	NIST
ΔfH°solid	-432.10 ± 6.00	kJ/mol	NIST
ΔsubH°	93.00 ± 2.00	kJ/mol	NIST
ΔvapH°	67.37	kJ/mol	Relay (1.0) Calculated Property
IE	[6.60; 7.39]	eV
IE	6.60 ± 0.20	eV	NIST
IE	7.29	eV	NIST
IE	6.70 ± 0.10	eV	NIST
IE	7.19	eV	NIST
IE	7.39 ± 0.05	eV	NIST
log10WS	-1.81		Relay (1.0) Calculated Property
Pc	2284.76	kPa	Relay (1.0-beta) Calculated Property
Tboil	584.60	K	Relay (1.0) Calculated Property
Tc	527.57	K	Relay (1.0) Calculated Property
Tfus	340.53	K	Relay (1.0) Calculated Property
Vc	0.244	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (Methylbenzene)tricarbonylchromium.

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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