Chemical Properties of Anthracene, 9,10-dihydro- (CAS 613-31-0)

InChI

InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2

InChI Key

WPDAVTSOEQEGMS-UHFFFAOYSA-N

Formula

C14H12

SMILES

c1ccc2c(c1)Cc1ccccc1C2

Molecular Weight¹

180.25

CAS

613-31-0

Other Names

• 9,10-Dihydroanthracene
• Anthracene, dihydro-
• para-hydroanthracene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4298		Relay (1.0) Calculated Property
ΔcH°solid	-7290.50 ± 1.20	kJ/mol	NIST
ΔfG°	353.12	kJ/mol	Joback Calculated Property
ΔfH°gas	223.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
ΔsubH°	94.20 ± 0.80	kJ/mol	NIST
ΔvapH°	77.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	149.740	ml/mol	McGowan Calculated Property
Pc	3114.04	kPa	Joback Calculated Property
Inp	[284.15; 1688.00]
Inp	1652.00		NIST
Inp	1622.00		NIST
Inp	1667.00		NIST
Inp	1662.00		NIST
Inp	1676.60		NIST
Inp	1676.20		NIST
Inp	1662.10		NIST
Inp	1676.60		NIST
Inp	1685.30		NIST
Inp	1669.60		NIST
Inp	1686.10		NIST
Inp	1662.10		NIST
Inp	1676.60		NIST
Inp	1685.30		NIST
Inp	1676.60		NIST
Inp	1676.20		NIST
Inp	1688.00		NIST
Inp	1672.00		NIST
Inp	1649.00		NIST
Inp	1622.00		NIST
Inp	1662.00		NIST
Inp	1662.00		NIST
Inp	287.50		NIST
Inp	285.60		NIST
Inp	284.99		NIST
Inp	284.78		NIST
Inp	284.89		NIST
Inp	287.90		NIST
Inp	284.15		NIST
Inp	284.99		NIST
Inp	1662.00		NIST
Inp	287.50		NIST
Inp	287.90		NIST
Inp	1676.60		NIST
Inp	1669.60		NIST
Inp	1652.00		NIST
S°solid,1 bar	218.97	J/mol×K	NIST
Tboil	[578.20; 585.20]	K
Tboil	585.20	K	NIST
Tboil	578.20	K	NIST
Tc	827.23	K	Relay (1.0) Calculated Property
Tfus	382.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[382.18; 382.18]	K
Ttriple	382.18 ± 0.01	K	NIST
Ttriple	382.18 ± 0.01	K	NIST
Vc	0.570	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	219.06	J/mol×K	298.15	NIST
ΔfusH	[23.84; 23.84]	kJ/mol	[382.18; 382.18]
ΔfusH	23.84	kJ/mol	382.18	NIST
ΔfusH	23.84	kJ/mol	382.18	NIST
ΔsubH	[89.50; 93.90]	kJ/mol	[279.00; 388.00]
ΔsubH	93.30 ± 4.20	kJ/mol	279.00	NIST
ΔsubH	89.50	kJ/mol	293.00	NIST
ΔsubH	93.00 ± 4.00	kJ/mol	303.50	NIST
ΔsubH	93.00 ± 4.00	kJ/mol	303.50	NIST
ΔsubH	92.00 ± 4.00	kJ/mol	348.50	NIST
ΔsubH	93.90	kJ/mol	383.00	NIST
ΔsubH	89.50	kJ/mol	388.00	NIST
ΔfusS	[62.38; 62.38]	J/mol×K	[382.18; 382.18]
ΔfusS	62.38	J/mol×K	382.18	NIST
ΔfusS	62.38	J/mol×K	382.18	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.25; 469.77]	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			-1.00110e+02
Coefficient B			1.24400e+00
Coefficient C			-9.88120e-04
Coefficient D			3.14000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.25	J/mol×K	273.00	Calculated Property
Cp,gas	230.22	J/mol×K	353.78	Calculated Property
Cp,gas	279.65	J/mol×K	434.56	Calculated Property
Cp,gas	321.52	J/mol×K	515.33	Calculated Property
Cp,gas	356.84	J/mol×K	596.11	Calculated Property
Cp,gas	386.59	J/mol×K	676.89	Calculated Property
Cp,gas	411.76	J/mol×K	757.67	Calculated Property
Cp,gas	433.35	J/mol×K	838.44	Calculated Property
Cp,gas	452.36	J/mol×K	919.22	Calculated Property
Cp,gas	469.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012771; 0.0004596]	Pa×s	[382.15; 589.19]	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			-9.57166e+00
Coefficient B			1.11148e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			382.15
Temperature range, max.			589.19
η	0.0012771	Pa×s	382.15	Calculated Property
η	0.0010827	Pa×s	405.15	Calculated Property
η	0.0009343	Pa×s	428.16	Calculated Property
η	0.0008185	Pa×s	451.16	Calculated Property
η	0.0007263	Pa×s	474.17	Calculated Property
η	0.0006516	Pa×s	497.17	Calculated Property
η	0.0005903	Pa×s	520.18	Calculated Property
η	0.0005392	Pa×s	543.18	Calculated Property
η	0.0004962	Pa×s	566.19	Calculated Property
η	0.0004596	Pa×s	589.19	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 9,10-dihydro-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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