Chemical Properties of Benzo[b]naphtho[1,2-d]thiophene (CAS 205-43-6)

InChI

InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H

InChI Key

XZUMOEVHCZXMTR-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)ccc1sc3ccccc3c12

Molecular Weight¹

234.32

CAS

205-43-6

Other Names

• Naphtho[2,1-b]thianaphthene
• 3,4-Benzo-9-thiafluorene
• 7-Thia-7H-benzo[c]fluorene
• Benzo[b]naphto[1,2-d]thiophene
• Benzo[b]naphtho[1,2]thiophene
• Dibenzo[b]naphtho[1,2d]thiopnene

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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
ω	0.4832		Relay (1.0) Calculated Property
ΔfG°	343.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	309.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-6.75		Relay (1.0) Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2679.63	kPa	Relay (1.0-beta) Calculated Property
Inp	[390.33; 2446.00]
Inp	391.73		NIST
Inp	392.70		NIST
Inp	392.00		NIST
Inp	Outlier 2446.00		NIST
Inp	Outlier 2446.00		NIST
Inp	392.94		NIST
Inp	392.51		NIST
Inp	392.24		NIST
Inp	392.60		NIST
Inp	395.00		NIST
Inp	392.51		NIST
Inp	393.73		NIST
Inp	392.88		NIST
Inp	392.59		NIST
Inp	392.92		NIST
Inp	391.73		NIST
Inp	391.73		NIST
Inp	392.51		NIST
Inp	392.59		NIST
Inp	390.69		NIST
Inp	392.70		NIST
Inp	391.47		NIST
Inp	392.20		NIST
Inp	392.18		NIST
Inp	392.40		NIST
Inp	392.00		NIST
Inp	392.20		NIST
Inp	390.33		NIST
Tboil	696.50	K	Relay (1.0) Calculated Property
Tc	986.95	K	Relay (1.0) Calculated Property
Tfus	394.03	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Benzo[b]naphtho[1,2-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.