Chemical Properties of Benzene, [(1-methylpropyl)thio]- (CAS 14905-79-4)

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

166.28

CAS

14905-79-4

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_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
ω	0.3159		Relay (1.0) Calculated Property
ΔfG°	176.41	kJ/mol	Joback Calculated Property
ΔfH°gas	12.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	56.78	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	689.54	K	Relay (1.0) Calculated Property
Tfus	249.95	K	Relay (1.0) Calculated Property
Vc	0.508	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.00; 390.65]	J/mol×K	[523.22; 754.96]
Cp,gas	310.00	J/mol×K	523.22	Joback Calculated Property
Cp,gas	325.83	J/mol×K	561.84	Joback Calculated Property
Cp,gas	340.66	J/mol×K	600.47	Joback Calculated Property
Cp,gas	354.52	J/mol×K	639.09	Joback Calculated Property
Cp,gas	367.45	J/mol×K	677.71	Joback Calculated Property
Cp,gas	379.48	J/mol×K	716.34	Joback Calculated Property
Cp,gas	390.65	J/mol×K	754.96	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

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