Chemical Properties of Benzo[b]naphtho[2,3-d]furan (CAS 243-42-5)

InChI

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

InChI Key

FTMRMQALUDDFQO-UHFFFAOYSA-N

Formula

C16H10O

SMILES

c1ccc2cc3c(cc2c1)oc1ccccc13

Molecular Weight¹

218.25

CAS

243-42-5

Other Names

• Benzonaphthofuran

• Δ_fH°_gas : Enthalpy of formation 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	141.72	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.54	eV	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	4.739		Crippen Calculated Property
McVol	164.330	ml/mol	McGowan Calculated Property
Pc	2816.16	kPa	Relay (1.0-beta) Calculated Property
Inp	[349.06; 2104.00]
Inp	Outlier 2089.00		NIST
Inp	Outlier 2104.00		NIST
Inp	356.83		NIST
Inp	353.60		NIST
Inp	358.58		NIST
Inp	354.30		NIST
Inp	353.47		NIST
Inp	353.47		NIST
Inp	349.06		NIST
Inp	354.09		NIST
Inp	349.26		NIST
Inp	354.37		NIST
Inp	356.83		NIST
Tboil	670.14	K	Relay (1.0) Calculated Property
Tc	971.33	K	Relay (1.0) Calculated Property
Tfus	479.30 ± 1.00	K	NIST
Vc	0.645	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Similar Compounds

Find more compounds similar to Benzo[b]naphtho[2,3-d]furan.

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
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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