Chemical Properties of 7H-Benz[de]anthracen-7-one (CAS 82-05-3)

InChI

InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H

InChI Key

HUKPVYBUJRAUAG-UHFFFAOYSA-N

Formula

C17H10O

SMILES

O=C1c2ccccc2-c2cccc3cccc1c23

Molecular Weight¹

230.26

CAS

82-05-3

Other Names

• 1,9-benz-10-anthrone
• 7-oxobenz[de]anthracene
• 7H-Benz[de]anthracene-7-one
• 7H-Benzo(de)anthracen-7-one
• Benzanthone
• Benzoanthrone
• Dye, benzanthrone
• Ms-Benzanthrone
• NSC 5189
• NSC 631641
• benz[de]anthracen-7-one
• benzanthrenone
• benzanthrone
• naphthanthrone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_sub : Sublimation 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°	364.91	kJ/mol	Joback Calculated Property
ΔfH°gas	203.27	kJ/mol	Joback Calculated Property
ΔfusH°	[125.30; 125.40]	kJ/mol
ΔfusH°	125.30	kJ/mol	New Knu...
ΔfusH°	125.40	kJ/mol	New Knu...
ΔfusH°	125.40	kJ/mol	New Knu...
ΔsubH°	[124.60; 129.70]	kJ/mol
ΔsubH°	125.60 ± 0.60	kJ/mol	NIST
ΔsubH°	126.60 ± 0.60	kJ/mol	NIST
ΔsubH°	129.70 ± 2.10	kJ/mol	NIST
ΔsubH°	124.60 ± 6.00	kJ/mol	NIST
ΔvapH°	65.74	kJ/mol	Joback Calculated Property
IE	8.00	eV	NIST
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	4.051		Crippen Calculated Property
McVol	174.120	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[403.60; 2428.00]
Inp	Outlier 2407.00		NIST
Inp	Outlier 2428.00		NIST
Inp	405.44		NIST
Inp	404.90		NIST
Inp	405.00		NIST
Inp	404.39		NIST
Inp	404.40		NIST
Inp	404.72		NIST
Inp	403.60		NIST
Inp	404.64		NIST
Inp	404.85		NIST
Inp	405.00		NIST
Inp	405.59		NIST
Inp	409.00		NIST
Inp	407.00		NIST
Inp	417.70		NIST
Tboil	746.33	K	Joback Calculated Property
Tc	1015.64	K	Joback Calculated Property
Tfus	[446.13; 446.78]	K
Tfus	446.78	K	Vapour ...
Tfus	446.13 ± 0.30	K	NIST
Tfus	446.25 ± 0.20	K	NIST
Vc	0.674	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.25; 531.63]	J/mol×K	[746.33; 1015.64]
T(K) Ideal gas heat capacity (J/mol×K) 460 470 480 490 500 510 520 530 800 900 1000
Cp,gas	461.25	J/mol×K	746.33	Joback Calculated Property
Cp,gas	474.99	J/mol×K	791.21	Joback Calculated Property
Cp,gas	487.69	J/mol×K	836.10	Joback Calculated Property
Cp,gas	499.53	J/mol×K	880.98	Joback Calculated Property
Cp,gas	510.68	J/mol×K	925.87	Joback Calculated Property
Cp,gas	521.33	J/mol×K	970.75	Joback Calculated Property
Cp,gas	531.63	J/mol×K	1015.64	Joback Calculated Property
ΔsubH	[115.50; 125.50]	kJ/mol	[370.50; 400.00]
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 116 118 120 122 124 126 370 380 390 400
ΔsubH	119.70 ± 5.40	kJ/mol	370.50	NIST
ΔsubH	125.50 ± 2.10	kJ/mol	383.00	NIST
ΔsubH	115.50	kJ/mol	398.00	NIST
ΔsubH	121.60 ± 0.60	kJ/mol	399.00	NIST
ΔsubH	122.60 ± 0.60	kJ/mol	400.00	NIST
ΔvapH	91.40	kJ/mol	585.50	NIST
Psub	[1.49e-04; 9.62e-04]	kPa	[390.31; 410.23]
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 390 400 410
Psub	1.49e-04	kPa	390.31	The des...
Psub	1.52e-04	kPa	390.31	The des...
Psub	1.79e-04	kPa	392.23	The des...
Psub	1.77e-04	kPa	392.23	The des...
Psub	2.34e-04	kPa	394.57	The des...
Psub	2.21e-04	kPa	394.57	The des...
Psub	2.60e-04	kPa	396.35	The des...
Psub	2.63e-04	kPa	396.35	The des...
Psub	2.62e-04	kPa	396.35	The des...
Psub	3.25e-04	kPa	398.22	The des...
Psub	3.23e-04	kPa	398.22	The des...
Psub	3.25e-04	kPa	398.22	The des...
Psub	3.94e-04	kPa	400.41	The des...
Psub	3.81e-04	kPa	400.41	The des...
Psub	4.53e-04	kPa	402.19	The des...
Psub	4.53e-04	kPa	402.19	The des...
Psub	4.71e-04	kPa	402.19	The des...
Psub	5.70e-04	kPa	404.34	The des...
Psub	5.64e-04	kPa	404.34	The des...
Psub	5.65e-04	kPa	404.34	The des...
Psub	6.86e-04	kPa	406.35	The des...
Psub	6.79e-04	kPa	406.35	The des...
Psub	6.80e-04	kPa	406.35	The des...
Psub	8.10e-04	kPa	408.35	The des...
Psub	7.96e-04	kPa	408.35	The des...
Psub	8.00e-04	kPa	408.35	The des...
Psub	9.62e-04	kPa	410.23	The des...
Psub	9.54e-04	kPa	410.23	The des...
Psub	9.26e-04	kPa	410.23	The des...

Similar Compounds

Find more compounds similar to 7H-Benz[de]anthracen-7-one.

Sources

• Crippen Method
• Crippen Method
• The design, construction, and testing of a new Knudsen effusion apparatus
• New Knudsen effusion apparatus with simultaneous gravimetric and quartz crystal microbalance mass loss detection
• Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
• Joback Method
• McGowan Method
• NIST Webbook

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