Chemical Properties of Thiophene-2-thiol, S-heptafluorobutyryl-

InChI

InChI=1S/C8H3F7OS2/c9-6(10,7(11,12)8(13,14)15)5(16)18-4-2-1-3-17-4/h1-3H

InChI Key

VFBUWTDRYRWDDR-UHFFFAOYSA-N

Formula

C8H3F7OS2

SMILES

O=C(Sc1cccs1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

312.23

• 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	0.3716		Relay (1.0) Calculated Property
ΔfG°	-1403.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1511.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.200		Crippen Calculated Property
McVol	150.780	ml/mol	McGowan Calculated Property
Pc	2225.03	kPa	Relay (1.0-beta) Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
Tboil	445.91	K	Relay (1.0) Calculated Property
Tc	619.09	K	Relay (1.0) Calculated Property
Tfus	248.61	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene-2-thiol, S-heptafluorobutyryl-.

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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