Chemical Properties of Benzene, [(1,1-dimethylethyl)thio]- (CAS 3019-19-0)

InChI

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

InChI Key

VEUCZKAZCRSEMP-UHFFFAOYSA-N

Formula

C10H14S

SMILES

CC(C)(C)Sc1ccccc1

Molecular Weight¹

166.28

CAS

3019-19-0

Other Names

• Sulfide, tert-butyl phenyl
• tert-Butyl Phenyl sulfide
• Phenyl tert-butyl sulfide

• 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°	181.69	kJ/mol	Joback Calculated Property
ΔfH°gas	19.92	kJ/mol	Joback Calculated Property
ΔfusH°	12.41	kJ/mol	Joback Calculated Property
ΔvapH°	45.65	kJ/mol	Joback Calculated Property
IE	[8.20; 8.40]	eV
IE	8.20 ± 0.10	eV	NIST
IE	8.38 ± 0.05	eV	NIST
IE	8.40	eV	NIST
log10WS	-3.58		Crippen Calculated Property
logPoct/wat	3.577		Crippen Calculated Property
McVol	144.350	ml/mol	McGowan Calculated Property
Pc	3049.04	kPa	Joback Calculated Property
Inp	[1208.00; 1208.00]
Inp	1208.00		NIST
Inp	1208.00		NIST
Tboil	520.43	K	Joback Calculated Property
Tc	762.39	K	Joback Calculated Property
Tfus	265.70	K	Joback Calculated Property
Vc	0.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.97; 395.43]	J/mol×K	[520.43; 762.39]
Cp,gas	312.97	J/mol×K	520.43	Joback Calculated Property
Cp,gas	329.60	J/mol×K	560.76	Joback Calculated Property
Cp,gas	344.99	J/mol×K	601.08	Joback Calculated Property
Cp,gas	359.19	J/mol×K	641.41	Joback Calculated Property
Cp,gas	372.29	J/mol×K	681.74	Joback Calculated Property
Cp,gas	384.34	J/mol×K	722.06	Joback Calculated Property
Cp,gas	395.43	J/mol×K	762.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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