Chemical Properties of Thiophene, 3-(1-methylethyl)thio

InChI

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

InChI Key

IUWNGVPRUJILJM-UHFFFAOYSA-N

Formula

C7H10S2

SMILES

CC(C)Sc1ccsc1

Molecular Weight¹

158.28

• 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	0.2768		Relay (1.0) Calculated Property
ΔfG°	108.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	37.05	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	3.249		Crippen Calculated Property
McVol	122.730	ml/mol	McGowan Calculated Property
Pc	3146.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[1155.00; 1179.00]
Inp	1168.00		NIST
Inp	1173.00		NIST
Inp	1179.00		NIST
Inp	1158.00		NIST
Inp	1155.00		NIST
Inp	1161.00		NIST
Tboil	485.62	K	Relay (1.0) Calculated Property
Tc	687.91	K	Relay (1.0) Calculated Property
Tfus	255.41	K	Relay (1.0) Calculated Property
Vc	0.428	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 3-(1-methylethyl)thio.

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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