Chemical Properties of Dibenzo[def,mno]chrysene

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

276.34

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_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
ΔfH°gas	389.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.27	kJ/mol	Joback Calculated Property
ΔvapH°	128.24	kJ/mol	Relay (1.0) 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	-8.62		Relay (1.0) 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	505.97		NIST
Inp	503.90		NIST
Inp	509.50		NIST
Inp	Outlier 3215.00		NIST
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
Tboil	793.60	K	Relay (1.0) Calculated Property
Tc	1142.73	K	Relay (1.0) Calculated Property
Tfus	530.90 ± 1.50	K	NIST
Vc	0.843	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.66; 625.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.46110e+02
Coefficient B			1.90880e+00
Coefficient C			-1.83068e-03
Coefficient D			6.93200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.66	J/mol×K	273.00	Calculated Property
Cp,gas	330.75	J/mol×K	353.78	Calculated Property
Cp,gas	394.55	J/mol×K	434.56	Calculated Property
Cp,gas	446.26	J/mol×K	515.33	Calculated Property
Cp,gas	488.06	J/mol×K	596.11	Calculated Property
Cp,gas	522.14	J/mol×K	676.89	Calculated Property
Cp,gas	550.71	J/mol×K	757.67	Calculated Property
Cp,gas	575.95	J/mol×K	838.44	Calculated Property
Cp,gas	600.05	J/mol×K	919.22	Calculated Property
Cp,gas	625.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084781; 0.0081872]	Pa×s	[530.90; 764.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.88438e+00
Coefficient B			6.05800e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			530.90
Temperature range, max.			764.94
η	0.0084781	Pa×s	530.90	Calculated Property
η	0.0084331	Pa×s	556.90	Calculated Property
η	0.0083922	Pa×s	582.91	Calculated Property
η	0.0083551	Pa×s	608.91	Calculated Property
η	0.0083211	Pa×s	634.92	Calculated Property
η	0.0082899	Pa×s	660.92	Calculated Property
η	0.0082612	Pa×s	686.93	Calculated Property
η	0.0082347	Pa×s	712.93	Calculated Property
η	0.0082101	Pa×s	738.94	Calculated Property
η	0.0081872	Pa×s	764.94	Calculated Property

Similar Compounds

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

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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