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

ω : Acentric Factor.
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.6005		Relay (1.0) Calculated Property
Δ_fG°	364.91	kJ/mol	Joback Calculated Property
Δ_fH°_gas	135.18	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	[125.30; 125.40]	kJ/mol
Δ_fusH°	125.30	kJ/mol	New Knudsen effusion apparatus with simultaneous gravimetric and quartz crystal microbalance mass loss detection
Δ_fusH°	125.40	kJ/mol	New Knudsen effusion apparatus with simultaneous gravimetric and quartz crystal microbalance mass loss detection
Δ_fusH°	125.40	kJ/mol	New Knudsen effusion apparatus with simultaneous gravimetric and quartz crystal microbalance mass loss detection
Δ_subH°	[124.60; 129.70]	kJ/mol
Δ_subH°	125.60 ± 0.60	kJ/mol	NIST
Δ_subH°	126.60 ± 0.60	kJ/mol	NIST
Δ_subH°	129.70 ± 2.10	kJ/mol	NIST
Δ_subH°	124.60 ± 6.00	kJ/mol	NIST
Δ_vapH°	106.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	NIST
log₁₀WS	-6.00		Relay (1.0) Calculated Property
logP_oct/wat	4.051		Crippen Calculated Property
McVol	174.120	ml/mol	McGowan Calculated Property
P_c	2953.69	kPa	Joback Calculated Property
I_np	[403.60; 2428.00]
I_np	Outlier 2407.00		NIST
I_np	Outlier 2428.00		NIST
I_np	405.44		NIST
I_np	404.90		NIST
I_np	405.00		NIST
I_np	404.39		NIST
I_np	404.40		NIST
I_np	404.72		NIST
I_np	403.60		NIST
I_np	404.64		NIST
I_np	404.85		NIST
I_np	405.00		NIST
I_np	405.59		NIST
I_np	409.00		NIST
I_np	407.00		NIST
I_np	417.70		NIST
T_boil	695.94	K	Relay (1.0) Calculated Property
T_c	1018.75	K	Relay (1.0) Calculated Property
T_fus	[446.13; 446.78]	K
T_fus	446.78	K	Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method
T_fus	446.13 ± 0.30	K	NIST
T_fus	446.25 ± 0.20	K	NIST
V_c	0.666	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[461.25; 531.63]	J/mol×K	[746.33; 1015.64]

C_p,gas	461.25	J/mol×K	746.33	Joback Calculated Property
C_p,gas	474.99	J/mol×K	791.21	Joback Calculated Property
C_p,gas	487.69	J/mol×K	836.10	Joback Calculated Property
C_p,gas	499.53	J/mol×K	880.98	Joback Calculated Property
C_p,gas	510.68	J/mol×K	925.87	Joback Calculated Property
C_p,gas	521.33	J/mol×K	970.75	Joback Calculated Property
C_p,gas	531.63	J/mol×K	1015.64	Joback Calculated Property
Δ_subH	[115.50; 125.50]	kJ/mol	[370.50; 400.00]

Δ_subH	119.70 ± 5.40	kJ/mol	370.50	NIST
Δ_subH	125.50 ± 2.10	kJ/mol	383.00	NIST
Δ_subH	115.50	kJ/mol	398.00	NIST
Δ_subH	121.60 ± 0.60	kJ/mol	399.00	NIST
Δ_subH	122.60 ± 0.60	kJ/mol	400.00	NIST
Δ_vapH	91.40	kJ/mol	585.50	NIST
P_sub	[1.49e-04; 9.62e-04]	kPa	[390.31; 410.23]

P_sub	1.52e-04	kPa	390.31	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	1.49e-04	kPa	390.31	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	1.79e-04	kPa	392.23	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	1.77e-04	kPa	392.23	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	2.34e-04	kPa	394.57	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	2.21e-04	kPa	394.57	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	2.63e-04	kPa	396.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	2.62e-04	kPa	396.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	2.60e-04	kPa	396.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	3.25e-04	kPa	398.22	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	3.23e-04	kPa	398.22	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	3.25e-04	kPa	398.22	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	3.94e-04	kPa	400.41	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	3.81e-04	kPa	400.41	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	4.71e-04	kPa	402.19	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	4.53e-04	kPa	402.19	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	4.53e-04	kPa	402.19	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	5.70e-04	kPa	404.34	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	5.64e-04	kPa	404.34	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	5.65e-04	kPa	404.34	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	6.86e-04	kPa	406.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	6.79e-04	kPa	406.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	6.80e-04	kPa	406.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	8.10e-04	kPa	408.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	7.96e-04	kPa	408.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	8.00e-04	kPa	408.35	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	9.62e-04	kPa	410.23	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	9.54e-04	kPa	410.23	The design, construction, and testing of a new Knudsen effusion apparatus
P_sub	9.26e-04	kPa	410.23	The design, construction, and testing of a new Knudsen effusion apparatus

Similar Compounds

Acetic acid, [(7-oxo-7h-benz[de]anthracen-3-yl)thio]-.

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

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

Physical Properties

Temperature Dependent Properties

Similar Compounds

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