Chemical Properties of 4-tert-Butyl-1(1-thioxo-2,2-dimethyl-propyl)-benzene (CAS 72194-24-2)

InChI

InChI=1S/C15H22S/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3

InChI Key

ZPRFQKNKKXHCDW-UHFFFAOYSA-N

Formula

C15H22S

SMILES

CC(C)(C)C(=S)c1ccc(C(C)(C)C)cc1

Molecular Weight¹

234.40

CAS

72194-24-2

Other Names

• 1-Propanethione, 1-[4-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-

• 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).
• 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	0.4407		Relay (... Calculated Property
ΔfG°	300.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-84.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.03	kJ/mol	Joback Calculated Property
ΔvapH°	82.36	kJ/mol	Relay (... Calculated Property
IE	[7.85; 8.96]	eV
IE	7.85	eV	NIST
IE	8.96	eV	NIST
log10WS	-6.41		Relay (... Calculated Property
logPoct/wat	4.748		Crippen Calculated Property
McVol	210.500	ml/mol	McGowan Calculated Property
Pc	2043.76	kPa	Joback Calculated Property
Tboil	557.84	K	Relay (... Calculated Property
Tc	793.34	K	Relay (... Calculated Property
Tfus	345.10	K	Relay (... Calculated Property
Vc	0.771	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.24; 633.28]	J/mol×K	[637.84; 877.23]
Cp,gas	540.24	J/mol×K	637.84	Joback Calculated Property
Cp,gas	558.89	J/mol×K	677.74	Joback Calculated Property
Cp,gas	576.07	J/mol×K	717.64	Joback Calculated Property
Cp,gas	591.93	J/mol×K	757.54	Joback Calculated Property
Cp,gas	606.65	J/mol×K	797.43	Joback Calculated Property
Cp,gas	620.39	J/mol×K	837.33	Joback Calculated Property
Cp,gas	633.28	J/mol×K	877.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-tert-Butyl-1(1-thioxo-2,2-dimethyl-propyl)-benzene.

Sources

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

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