Chemical Properties of 2-Isopropylthioxanthone

InChI

InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

InChI Key

KTALPKYXQZGAEG-UHFFFAOYSA-N

Formula

C16H14OS

SMILES

CC(C)c1ccc2sc3ccccc3c(=O)c2c1

Molecular Weight¹

254.35

Other Names

• 2-(1-methylethyl)-9H-thioxanthen-9-one
• 2-isopropyl-9H-thioxanthen-9-one
• 9H-Thioxanthen-9-one, 2-isopropyl
• Quantacure ITX
• Quantacure ITX (Isopropylthioxanthene-9-one)

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	13.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.91	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	4.538		Crippen Calculated Property
McVol	195.840	ml/mol	McGowan Calculated Property
Inp	[2345.00; 2353.00]
Inp	2345.00		NIST
Inp	2353.00		NIST
Inp	2345.00		NIST
Tboil	681.60	K	Relay (1.0) Calculated Property
Tfus	399.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Find more compounds similar to 2-Isopropylthioxanthone.

Mixtures

• Methyl Alcohol + 2-Isopropylthioxanthone
• Ethanol + 2-Isopropylthioxanthone
• Acetone + 2-Isopropylthioxanthone
• Toluene + 2-Isopropylthioxanthone
• Ethyl Acetate + 2-Isopropylthioxanthone
• 1,4-Dioxane + 2-Isopropylthioxanthone
• Ethane, 1,2-dichloro- + 2-Isopropylthioxanthone

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Determination and Correlation of Solubilities of 2-Isopropylthioxanthone (ITX) in Seven Different Solvents from (299.15 to 329.85) K
• 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.