Chemical Properties of Chromium, tricarbonyl[«eta»6-1,3,5-trimethylbenzene] (CAS 12129-67-8)

InChI

InChI=1S/C9H12.3CO.Cr/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-6H,1-3H3;;;;

InChI Key

NIONDGZOEVKXEP-UHFFFAOYSA-N

Formula

C12H12CrO3

SMILES

Cc1cc(C)cc(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

Molecular Weight¹

256.22

CAS

12129-67-8

Other Names

• Mesitylene chromium tricarbonyl
• Chromium, tricarbonyl[(1,2,3,4,5,6-«eta»)-1,3,5-trimethylbenzene]-
• Chromium,tricarbonyl[(1,2,3,4,5,6-«eta»

• 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	-0.1477		Relay (1.0) Calculated Property
ΔfG°	-22.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-466.30 ± 9.50	kJ/mol	NIST
ΔfH°solid	-574.70 ± 8.50	kJ/mol	NIST
ΔsubH°	[108.40; 108.40]	kJ/mol
ΔsubH°	108.40 ± 4.20	kJ/mol	NIST
ΔsubH°	108.40	kJ/mol	NIST
ΔvapH°	74.67	kJ/mol	Relay (1.0) Calculated Property
IE	[6.60; 7.33]	eV
IE	7.29	eV	NIST
IE	Outlier 6.60 ± 0.10	eV	NIST
IE	7.05	eV	NIST
IE	7.33 ± 0.02	eV	NIST
IE	7.20	eV	NIST
IE	7.20	eV	NIST
IE	7.20 ± 0.05	eV	NIST
log10WS	-2.99		Relay (1.0) Calculated Property
Pc	2038.50	kPa	Relay (1.0-beta) Calculated Property
Tboil	621.57	K	Relay (1.0) Calculated Property
Tc	580.29	K	Relay (1.0) Calculated Property
Tfus	368.41	K	Relay (1.0) Calculated Property
Vc	0.355	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Chromium, tricarbonyl[«eta»6-1,3,5-trimethylbenzene].

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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