Chemical Properties of 4-(Methylthio)thiophenol (CAS 1122-97-0)

InChI

InChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChI Key

KYMOWQQIZINTJZ-UHFFFAOYSA-N

Formula

C7H8S2

SMILES

CSc1ccc(S)cc1

Molecular Weight¹

156.27

CAS

1122-97-0

Other Names

• 4-(Methylthio)-benzenethiol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	173.35	kJ/mol	Joback Calculated Property
ΔfH°gas	117.60	kJ/mol	Joback Calculated Property
ΔfusH°	15.71	kJ/mol	Joback Calculated Property
ΔvapH°	47.67	kJ/mol	Joback Calculated Property
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	2.697		Crippen Calculated Property
McVol	118.430	ml/mol	McGowan Calculated Property
Pc	4486.22	kPa	Joback Calculated Property
Inp	[1363.00; 1367.00]
Inp	1363.00		NIST
Inp	1367.00		NIST
Tboil	522.86	K	Joback Calculated Property
Tc	788.46	K	Joback Calculated Property
Tfus	278.45	K	Joback Calculated Property
Vc	0.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.40; 282.99]	J/mol×K	[522.86; 788.46]
Cp,gas	224.40	J/mol×K	522.86	Joback Calculated Property
Cp,gas	236.20	J/mol×K	567.13	Joback Calculated Property
Cp,gas	247.16	J/mol×K	611.39	Joback Calculated Property
Cp,gas	257.29	J/mol×K	655.66	Joback Calculated Property
Cp,gas	266.62	J/mol×K	699.93	Joback Calculated Property
Cp,gas	275.17	J/mol×K	744.19	Joback Calculated Property
Cp,gas	282.99	J/mol×K	788.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Methylthio)thiophenol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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