Chemical Properties of 2-[2-Methyl-(3-thienyldithio)]pentan-3-one

InChI

InChI=1S/C10H14OS3/c1-4-9(11)7(2)13-14-10-5-6-12-8(10)3/h5-7H,4H2,1-3H3

InChI Key

PGDWEJUJUYDSMI-UHFFFAOYSA-N

Formula

C10H14OS3

SMILES

CCC(=O)C(C)SSc1ccsc1C

Molecular Weight¹

246.41

• 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	0.4132		Relay (1.0) Calculated Property
ΔfG°	23.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-148.41	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.77	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	182.920	ml/mol	McGowan Calculated Property
Pc	2497.54	kPa	Relay (1.0-beta) Calculated Property
Inp	[1795.00; 1795.00]
Inp	1795.00		NIST
Inp	1795.00		NIST
Tboil	578.74	K	Relay (1.0) Calculated Property
Tc	791.38	K	Relay (1.0) Calculated Property
Tfus	333.83	K	Relay (1.0) Calculated Property
Vc	0.606	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-Methyl-(3-thienyldithio)]pentan-3-one.

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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