Chemical Properties of 9,10[1',2']-Benzenoanthracene, 9,10-dihydro- (CAS 477-75-8)

InChI

InChI=1S/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H

InChI Key

NGDCLPXRKSWRPY-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1ccc2c(c1)C1c3ccccc3C2c2ccccc21

Molecular Weight¹

254.33

CAS

477-75-8

Other Names

• 9,10-Dihydro-9,10[1',2']-benzenoanthracene
• 9,10-benzenoanthracene, 9,10-dihydro-
• 9,10-o-Benzenoanthracene, 9,10-dihydro-
• 9,10-o-benzeno-9,10-dihydroanthracene
• Anthracene, 9,10-dihydro-9,10-O-benzeno-
• tribenzobicyclo[2.2.2]octatriene
• triptycene
• tryptycene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_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).
• 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_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-10088.20 ± 1.20	kJ/mol	NIST
ΔfH°gas	322.00 ± 13.00	kJ/mol	NIST
ΔfH°solid	217.10 ± 1.30	kJ/mol	NIST
ΔfusH°	33.18	kJ/mol	Joback Calculated Property
ΔsubH°	[104.90; 105.00]	kJ/mol
ΔsubH°	105.00 ± 13.00	kJ/mol	NIST
ΔsubH°	104.90	kJ/mol	NIST
ΔvapH°	98.62	kJ/mol	Relay (1.0) Calculated Property
IE	[7.80; 7.90]	eV
IE	7.80	eV	NIST
IE	7.80	eV	NIST
IE	7.89	eV	NIST
IE	7.90	eV	NIST
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	4.674		Crippen Calculated Property
McVol	199.660	ml/mol	McGowan Calculated Property
Inp	[365.02; 2228.00]
Inp	2228.00		NIST
Inp	2179.00		NIST
Inp	365.02		NIST
Inp	366.41		NIST
Inp	2228.00		NIST
Inp	366.41		NIST
Inp	365.02		NIST
S°solid,1 bar	273.97	J/mol×K	NIST
Tboil	683.90	K	Relay (1.0) Calculated Property
Tfus	526.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[527.18; 527.18]	K
Ttriple	527.18 ± 0.02	K	NIST
Ttriple	527.18 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[546.50; 557.40]	J/mol×K	[530.00; 550.00]
Cp,liquid	546.50	J/mol×K	530.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	551.90	J/mol×K	540.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	557.40	J/mol×K	550.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	[282.67; 283.10]	J/mol×K	[298.15; 298.15]
Cp,solid	283.10	J/mol×K	298.15	NIST
Cp,solid	282.67	J/mol×K	298.15	NIST
ΔfusH	[30.27; 30.29]	kJ/mol	[527.18; 527.20]
ΔfusH	30.27	kJ/mol	527.18	NIST
ΔfusH	30.27	kJ/mol	527.18	NIST
ΔfusH	30.29	kJ/mol	527.20	NIST
ΔfusH	30.29	kJ/mol	527.20	NIST
ΔfusS	[57.43; 57.43]	J/mol×K	[527.18; 527.18]
ΔfusS	57.43	J/mol×K	527.18	NIST
ΔfusS	57.43	J/mol×K	527.18	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.32; 638.81]	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			-1.54110e+02
Coefficient B			1.82880e+00
Coefficient C			-1.58268e-03
Coefficient D			5.46800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.32	J/mol×K	273.00	Calculated Property
Cp,gas	319.00	J/mol×K	353.78	Calculated Property
Cp,gas	386.61	J/mol×K	434.56	Calculated Property
Cp,gas	442.85	J/mol×K	515.33	Calculated Property
Cp,gas	489.48	J/mol×K	596.11	Calculated Property
Cp,gas	528.22	J/mol×K	676.89	Calculated Property
Cp,gas	560.79	J/mol×K	757.67	Calculated Property
Cp,gas	588.92	J/mol×K	838.44	Calculated Property
Cp,gas	614.35	J/mol×K	919.22	Calculated Property
Cp,gas	638.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035913; 0.0031750]	Pa×s	[526.65; 706.41]	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			-6.11336e+00
Coefficient B			2.54960e+02
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.			526.65
Temperature range, max.			706.41
η	0.0035913	Pa×s	526.65	Calculated Property
η	0.0035283	Pa×s	546.62	Calculated Property
η	0.0034708	Pa×s	566.60	Calculated Property
η	0.0034180	Pa×s	586.57	Calculated Property
η	0.0033694	Pa×s	606.54	Calculated Property
η	0.0033246	Pa×s	626.52	Calculated Property
η	0.0032830	Pa×s	646.49	Calculated Property
η	0.0032445	Pa×s	666.47	Calculated Property
η	0.0032086	Pa×s	686.44	Calculated Property
η	0.0031750	Pa×s	706.41	Calculated Property

Similar Compounds

Find more compounds similar to 9,10[1',2']-Benzenoanthracene, 9,10-dihydro-.

Mixtures

• 9,10[1',2']-Benzenoanthracene, 9,10-dihydro- + Water

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Solubilities of Triptycene, 9-Phenylanthracene, 9,10-Dimethylanthracene, and 2-Methylanthracene in Pressurized Hot Water at Temperatures from 313 K to the Melting Point
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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