Chemical Properties of BENZO(B)NAPHTHO(2,3-D)THIOPHENE

InChI

InChI=1S/C16H10S/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

UWMISBRPSJFHIR-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2cc3c(cc2c1)sc1ccccc13

Molecular Weight¹

234.32

Other Names

• Benzo[b]naphto[2,3-d]thiophene
• Benzo[b]naphtho[2,3]thiophene
• Benzo[a]naphtho[2,3-d]thiophene

• 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	301.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.94	kJ/mol	Relay (1.0) Calculated Property
IE	7.29	eV	Relay (1.0) Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2746.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[359.59; 395.97]
Inp	395.76		NIST
Inp	395.59		NIST
Inp	395.20		NIST
Inp	395.90		NIST
Inp	395.60		NIST
Inp	395.59		NIST
Inp	395.79		NIST
Inp	395.61		NIST
Inp	395.97		NIST
Inp	394.76		NIST
Inp	Outlier 359.59		NIST
Inp	394.76		NIST
Inp	395.61		NIST
Inp	395.50		NIST
Inp	393.59		NIST
Inp	395.20		NIST
Inp	395.69		NIST
Inp	395.70		NIST
Inp	395.40		NIST
Inp	395.20		NIST
Inp	393.17		NIST
Tboil	706.74	K	Relay (1.0) Calculated Property
Tc	990.89	K	Relay (1.0) Calculated Property
Tfus	484.18	K	Relay (1.0) Calculated Property
Vc	0.664	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)THIOPHENE.

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.