Chemical Properties of Dibenzo[def,mno]chrysene (CAS 191-26-4)

InChI

InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H

InChI Key

YFIJJNAKSZUOLT-UHFFFAOYSA-N

Formula

C22H12

SMILES

c1cc2ccc3cc4cccc5ccc6cc(c1)c2c3c6c54

Molecular Weight¹

276.33

CAS

191-26-4

Other Names

• Anthanthrene
• Anthanthren
• Dibenzo[cd,jk]pyrene
• Anthranthrene
• Dibenz[def,mno]chrysene
• Dibenzo[def,mmo]chrysene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfG°	729.98	kJ/mol	Joback Calculated Property
ΔfH°gas	557.67	kJ/mol	Joback Calculated Property
ΔfusH°	36.27	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Joback Calculated Property
IE	[6.84; 7.11]	eV
IE	6.92 ± 0.04	eV	NIST
IE	7.10	eV	NIST
IE	7.11	eV	NIST
IE	7.01	eV	NIST
IE	6.84	eV	NIST
log10WS	-9.32		Crippen Calculated Property
logPoct/wat	6.328		Crippen Calculated Property
McVol	208.380	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[503.89; 3215.00]
Inp	Outlier 3215.00		NIST
Inp	Outlier 3215.00		NIST
Inp	Outlier 3183.00		NIST
Inp	Outlier 3186.00		NIST
Inp	Outlier 3215.00		NIST
Inp	503.89		NIST
Inp	508.40		NIST
Inp	505.29		NIST
Inp	504.85		NIST
Inp	504.26		NIST
Inp	505.29		NIST
Inp	504.10		NIST
Inp	503.89		NIST
Inp	505.97		NIST
Inp	505.29		NIST
Inp	505.97		NIST
Inp	506.40		NIST
Inp	505.61		NIST
Inp	503.90		NIST
Inp	508.40		NIST
Inp	508.40		NIST
Inp	505.49		NIST
Inp	506.49		NIST
Inp	509.50		NIST
Inp	510.00		NIST
Inp	510.58		NIST
Inp	503.89		NIST
Inp	505.97		NIST
Inp	503.90		NIST
Inp	509.50		NIST
Inp	Outlier 3215.00		NIST
Tboil	828.86	K	Joback Calculated Property
Tc	1092.51	K	Joback Calculated Property
Tfus	530.90 ± 1.50	K	NIST
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.06; 658.14]	J/mol×K	[828.86; 1092.51]
Cp,gas	573.06	J/mol×K	828.86	Joback Calculated Property
Cp,gas	586.21	J/mol×K	872.80	Joback Calculated Property
Cp,gas	599.31	J/mol×K	916.74	Joback Calculated Property
Cp,gas	612.69	J/mol×K	960.68	Joback Calculated Property
Cp,gas	626.73	J/mol×K	1004.62	Joback Calculated Property
Cp,gas	641.76	J/mol×K	1048.57	Joback Calculated Property
Cp,gas	658.14	J/mol×K	1092.51	Joback Calculated Property
η	[0.0081374; 0.0083814]	Pa×s	[590.26; 828.86]
η	0.0083814	Pa×s	590.26	Joback Calculated Property
η	0.0083273	Pa×s	630.03	Joback Calculated Property
η	0.0082799	Pa×s	669.79	Joback Calculated Property
η	0.0082380	Pa×s	709.56	Joback Calculated Property
η	0.0082008	Pa×s	749.33	Joback Calculated Property
η	0.0081674	Pa×s	789.09	Joback Calculated Property
η	0.0081374	Pa×s	828.86	Joback Calculated Property
ΔsubH	135.00 ± 5.00	kJ/mol	479.00	NIST

Similar Compounds

Find more compounds similar to Dibenzo[def,mno]chrysene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.