Chemical Properties of 9H-Xanthene (CAS 92-83-1)

InChI

InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

InChI Key

GJCOSYZMQJWQCA-UHFFFAOYSA-N

Formula

C13H10O

SMILES

c1ccc2c(c1)Cc1ccccc1O2

Molecular Weight¹

182.22

CAS

92-83-1

Other Names

• 10H-9-oxaanthracene
• 9-H-Xathene
• Dibenzo[a,e]pyran
• Dibenzopyran, tricyclic
• NSC 46931
• dibenzopyran
• xanthene

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	95.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.67	kJ/mol	Vapor Pressures of Solid and Liquid Xanthene and Phenoxathiin from Effusion and Static Studies
ΔvapH°	73.40	kJ/mol	Relay (1.0) Calculated Property
IE	7.65 ± 0.02	eV	NIST
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	3.383		Crippen Calculated Property
McVol	141.520	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[279.10; 1661.00]
Inp	1645.80		NIST
Inp	1620.00		NIST
Inp	1628.00		NIST
Inp	1645.80		NIST
Inp	1659.80		NIST
Inp	1661.00		NIST
Inp	1599.00		NIST
Inp	1627.00		NIST
Inp	1635.00		NIST
Inp	281.80		NIST
Inp	279.10		NIST
Inp	281.04		NIST
Inp	280.48		NIST
Inp	281.80		NIST
Tboil	584.20	K	NIST
Tc	842.74	K	Relay (1.0) Calculated Property
Tfus	373.70 ± 0.10	K	NIST

Cheméo can also estimate 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
ΔfusH	[15.87; 20.67]	kJ/mol	[373.70; 374.60]
ΔfusH	19.20	kJ/mol	373.70	NIST
ΔfusH	19.20	kJ/mol	373.70	NIST
ΔfusH	15.87	kJ/mol	374.30	NIST
ΔfusH	20.67	kJ/mol	374.60	NIST
ΔsubH	92.50	kJ/mol	329.00	NIST
ΔvapH	[54.40; 92.00]	kJ/mol	[298.15; 506.50]
ΔvapH	92.00	kJ/mol	298.15	Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound
ΔvapH	88.70	kJ/mol	423.00	NIST
ΔvapH	64.50	kJ/mol	506.50	NIST
ΔvapH	61.10	kJ/mol	506.50	NIST
ΔvapH	59.20	kJ/mol	506.50	NIST
ΔvapH	56.70	kJ/mol	506.50	NIST
ΔvapH	54.40	kJ/mol	506.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.39; 437.70]	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			-8.18800e+01
Coefficient B			1.14600e+00
Coefficient C			-9.19820e-04
Coefficient D			2.93400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.39	J/mol×K	273.00	Calculated Property
Cp,gas	221.42	J/mol×K	353.78	Calculated Property
Cp,gas	266.50	J/mol×K	434.56	Calculated Property
Cp,gas	304.57	J/mol×K	515.33	Calculated Property
Cp,gas	336.56	J/mol×K	596.11	Calculated Property
Cp,gas	363.39	J/mol×K	676.89	Calculated Property
Cp,gas	385.99	J/mol×K	757.67	Calculated Property
Cp,gas	405.29	J/mol×K	838.44	Calculated Property
Cp,gas	422.22	J/mol×K	919.22	Calculated Property
Cp,gas	437.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016843; 0.0004911]	Pa×s	[373.70; 593.37]	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			-9.71577e+00
Coefficient B			1.24419e+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.			373.70
Temperature range, max.			593.37
η	0.0016843	Pa×s	373.70	Calculated Property
η	0.0013733	Pa×s	398.11	Calculated Property
η	0.0011465	Pa×s	422.52	Calculated Property
η	0.0009762	Pa×s	446.92	Calculated Property
η	0.0008451	Pa×s	471.33	Calculated Property
η	0.0007421	Pa×s	495.74	Calculated Property
η	0.0006597	Pa×s	520.15	Calculated Property
η	0.0005926	Pa×s	544.55	Calculated Property
η	0.0005373	Pa×s	568.96	Calculated Property
η	0.0004911	Pa×s	593.37	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Xanthene.

Mixtures

• Carbon dioxide + 9H-Xanthene
• Undecane + 9H-Xanthene
• 9H-Xanthene + Ethyl ether
• Diisopropyl ether + 9H-Xanthene
• 9H-Xanthene + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents
• Solubilities of xanthone and xanthene in supercritical CO2
• Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound
• Vapor Pressures of Solid and Liquid Xanthene and Phenoxathiin from Effusion and Static Studies
• Solubilities of Oxygenated Aromatic Solids in Pressurized Hot Water
• Joback Method
• McGowan Method
• NIST Webbook

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