Chemical Properties of Triophene-2-thiol, n-propyl ether

InChI

InChI=1S/C7H10S2/c1-2-5-8-7-4-3-6-9-7/h3-4,6H,2,5H2,1H3

InChI Key

PMVPROQBFKKAOA-UHFFFAOYSA-N

Formula

C7H10S2

SMILES

CCCSc1cccs1

Molecular Weight¹

158.28

Other Names

• Thiophene, 2-propylthio

• 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	0.2862		Relay (1.0) Calculated Property
ΔfG°	120.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	70.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.250		Crippen Calculated Property
McVol	122.730	ml/mol	McGowan Calculated Property
Pc	3184.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1185.00; 1207.00]
Inp	1197.00		NIST
Inp	1202.00		NIST
Inp	1207.00		NIST
Inp	1188.00		NIST
Inp	1185.00		NIST
Inp	1191.00		NIST
Inp	1197.00		NIST
Inp	1188.00		NIST
Tboil	488.74	K	Relay (1.0) Calculated Property
Tc	684.55	K	Relay (1.0) Calculated Property
Tfus	220.73	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Triophene-2-thiol, n-propyl ether.

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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