Chemical Properties of 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-

InChI

InChI=1S/C21H12O6/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H

InChI Key

KYLIMUJRJDIPPF-UHFFFAOYSA-N

Formula

C21H12O6

SMILES

O=C1Oc2ccccc2C(=O)Oc2ccccc2C(=O)Oc2ccccc21

Molecular Weight¹

360.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-626.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.57	kJ/mol	Joback Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-6.42		Relay (1.0) Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	246.930	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[3228.00; 3228.00]
Inp	3228.00		NIST
Inp	3228.00		NIST
Tboil	752.05	K	Relay (1.0) Calculated Property
Tc	1115.37	K	Relay (1.0) Calculated Property
Tfus	501.21	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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,gas	[718.96; 760.65]	J/mol×K	[948.32; 1195.73]
Cp,gas	718.96	J/mol×K	948.32	Joback Calculated Property
Cp,gas	727.99	J/mol×K	989.55	Joback Calculated Property
Cp,gas	736.02	J/mol×K	1030.79	Joback Calculated Property
Cp,gas	743.19	J/mol×K	1072.02	Joback Calculated Property
Cp,gas	749.60	J/mol×K	1113.26	Joback Calculated Property
Cp,gas	755.38	J/mol×K	1154.49	Joback Calculated Property
Cp,gas	760.65	J/mol×K	1195.73	Joback Calculated Property
η	[0.0001967; 0.0008877]	Pa×s	[602.98; 948.32]
η	0.0008877	Pa×s	602.98	Joback Calculated Property
η	0.0006189	Pa×s	660.54	Joback Calculated Property
η	0.0004573	Pa×s	718.09	Joback Calculated Property
η	0.0003533	Pa×s	775.65	Joback Calculated Property
η	0.0002829	Pa×s	833.21	Joback Calculated Property
η	0.0002331	Pa×s	890.76	Joback Calculated Property
η	0.0001967	Pa×s	948.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• 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.
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