Chemical Properties of Acenaphtho[4,3-b]thiophene

InChI

InChI=1S/C14H10S/c1-2-9-4-5-12-13(9)10(3-1)8-11-6-7-15-14(11)12/h1-3,6-8H,4-5H2

InChI Key

SCTAIVTUMPXJFZ-UHFFFAOYSA-N

Formula

C14H10S

SMILES

c1cc2c3c(c4sccc4cc3c1)CC2

Molecular Weight¹

210.29

• 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_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	0.5032		Relay (1.0) Calculated Property
ΔfG°	277.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	235.33	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.84	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	4.153		Crippen Calculated Property
McVol	155.230	ml/mol	McGowan Calculated Property
Pc	2768.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[343.19; 343.19]
Inp	343.19		NIST
Inp	343.19		NIST
Tboil	653.04	K	Relay (1.0) Calculated Property
Tc	927.71	K	Relay (1.0) Calculated Property
Tfus	392.57	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Acenaphtho[4,3-b]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

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