Chemical Properties of BENZO[KL]XANTHENE

InChI

InChI=1S/C16H10O/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-15(17-14)16(11)13/h1-10H

InChI Key

QKOSFCWXOIAFTO-UHFFFAOYSA-N

Formula

C16H10O

SMILES

c1ccc2c(c1)Oc1cccc3cccc-2c13

Molecular Weight¹

218.26

• 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_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.
• T_boil : Normal Boiling Point 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	154.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.37	kJ/mol	Joback Calculated Property
ΔvapH°	96.86	kJ/mol	Relay (1.0) Calculated Property
IE	7.24	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	4.612		Crippen Calculated Property
McVol	164.330	ml/mol	McGowan Calculated Property
Inp	[359.77; 361.60]
Inp	359.85		NIST
Inp	361.38		NIST
Inp	360.96		NIST
Inp	360.96		NIST
Inp	361.38		NIST
Inp	361.60		NIST
Inp	359.77		NIST
Tboil	651.81	K	Relay (1.0) Calculated Property
Tfus	371.00	K	Relay (1.0) Calculated Property

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,gas	[416.92; 484.13]	J/mol×K	[682.58; 943.00]
Cp,gas	416.92	J/mol×K	682.58	Joback Calculated Property
Cp,gas	430.22	J/mol×K	725.98	Joback Calculated Property
Cp,gas	442.41	J/mol×K	769.39	Joback Calculated Property
Cp,gas	453.69	J/mol×K	812.79	Joback Calculated Property
Cp,gas	464.27	J/mol×K	856.19	Joback Calculated Property
Cp,gas	474.35	J/mol×K	899.59	Joback Calculated Property
Cp,gas	484.13	J/mol×K	943.00	Joback Calculated Property
η	[0.0010034; 0.0020931]	Pa×s	[448.97; 682.58]
η	0.0020931	Pa×s	448.97	Joback Calculated Property
η	0.0017633	Pa×s	487.91	Joback Calculated Property
η	0.0015236	Pa×s	526.84	Joback Calculated Property
η	0.0013433	Pa×s	565.77	Joback Calculated Property
η	0.0012037	Pa×s	604.71	Joback Calculated Property
η	0.0010930	Pa×s	643.64	Joback Calculated Property
η	0.0010034	Pa×s	682.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to BENZO[KL]XANTHENE.

Sources

• 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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.