Chemical Properties of Benzene, 1-methyl-3-(methylthio)- (CAS 4886-77-5)

InChI

InChI=1S/C8H10S/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3

InChI Key

HCQVSQDSAZSABA-UHFFFAOYSA-N

Formula

C8H10S

SMILES

CSc1cccc(C)c1

Molecular Weight¹

138.23

CAS

4886-77-5

Other Names

• Sulfide, methyl m-tolyl
• m-Methylthioanisole
• Methyl m-tolyl sulfide
• 3-Methylthiotoluene
• 3-Methylbenzenethiol, S-methyl-
• 1-Methyl-3-(methylsulfanyl)benzene

• 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).
• 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
ΔfG°	152.38	kJ/mol	Joback Calculated Property
ΔfH°gas	58.48	kJ/mol	Joback Calculated Property
ΔfusH°	14.26	kJ/mol	Joback Calculated Property
ΔvapH°	43.16	kJ/mol	Joback Calculated Property
IE	[8.00; 8.50]	eV
IE	8.00	eV	NIST
IE	8.50	eV	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	2.717		Crippen Calculated Property
McVol	116.170	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Inp	[1213.00; 1213.00]
Inp	1213.00		NIST
Inp	1213.00		NIST
Tboil	482.88	K	Joback Calculated Property
Tc	718.95	K	Joback Calculated Property
Tfus	253.26	K	Joback Calculated Property
Vc	0.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.13; 289.08]	J/mol×K	[482.88; 718.95]
Cp,gas	223.13	J/mol×K	482.88	Joback Calculated Property
Cp,gas	235.96	J/mol×K	522.23	Joback Calculated Property
Cp,gas	248.02	J/mol×K	561.57	Joback Calculated Property
Cp,gas	259.35	J/mol×K	600.92	Joback Calculated Property
Cp,gas	269.95	J/mol×K	640.26	Joback Calculated Property
Cp,gas	279.85	J/mol×K	679.61	Joback Calculated Property
Cp,gas	289.08	J/mol×K	718.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-3-(methylthio)-.

Sources

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

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