Chemical Properties of 4-TERT-BUTYL-1(1-THIOXO-2,2-DIMETHYL-PROPYL)-BENZENE

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

234.41

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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4407		Relay (1.0) Calculated Property
ΔfH°gas	-84.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.03	kJ/mol	Joback Calculated Property
ΔvapH°	82.36	kJ/mol	Relay (1.0) Calculated Property
IE	[7.85; 8.96]	eV
IE	7.85	eV	NIST
IE	8.96	eV	NIST
log10WS	-6.41		Relay (1.0) 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 (1.0) Calculated Property
Tc	793.34	K	Relay (1.0) Calculated Property
Tfus	345.10	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	[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

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.