Chemical Properties of Benzene, [(1-methylpropyl)thio]-

InChI

InChI=1S/C10H14S/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

InChI Key

YKLUJQMOFAXHHI-UHFFFAOYSA-N

Formula

C10H14S

SMILES

CCC(C)Sc1ccccc1

Molecular Weight¹

166.29

Other Names

• Sulfide, sec-butyl phenyl
• sec-Butyl phenyl sulfide
• Phenyl sec-butyl sulfide
• 2-(Phenylthio)butane
• (sec-Butylthio)benzene
• (2-Methyl-1-thiabutyl)benzene
• 2-Methyl-1-(1-thiabutyl)benzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3159		Relay (1.0) Calculated Property
ΔfH°gas	12.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	57.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.577		Crippen Calculated Property
McVol	144.350	ml/mol	McGowan Calculated Property
Pc	3012.33	kPa	Joback Calculated Property
Inp	[1282.00; 1282.00]
Inp	1282.00		NIST
Inp	1282.00		NIST
Tboil	504.89	K	Relay (1.0) Calculated Property
Tc	692.21	K	Relay (1.0) Calculated Property
Tfus	246.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.08; 390.73]	J/mol×K	[523.42; 755.25]
Cp,gas	310.08	J/mol×K	523.42	Joback Calculated Property
Cp,gas	325.92	J/mol×K	562.06	Joback Calculated Property
Cp,gas	340.75	J/mol×K	600.70	Joback Calculated Property
Cp,gas	354.61	J/mol×K	639.33	Joback Calculated Property
Cp,gas	367.53	J/mol×K	677.97	Joback Calculated Property
Cp,gas	379.56	J/mol×K	716.61	Joback Calculated Property
Cp,gas	390.73	J/mol×K	755.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, [(1-methylpropyl)thio]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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