Chemical Properties of Aramite

InChI

InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3

InChI Key

YKFRAOGHWKADFJ-UHFFFAOYSA-N

Formula

C15H23ClO4S

SMILES

CC(COc1ccc(C(C)(C)C)cc1)OS(=O)OCCCl

Molecular Weight¹

334.86

Other Names

• 2-(4-t-Butylphenoxy)isopropyl-2-chloroethyl sulfite
• 2-(4-t-butylphenoxy)isopropyl-2-chloroethyl sulphite
• 2-(4-tert-Butylphenoxy)isopropyl-2-chloroethyl sulfite
• 2-(p-Butylphenoxy)isopropyl 2-chloroethyl sulfite
• 2-(p-butylphenoxy)-1-methylethyl 2-chloroethyl sulfite
• 2-(p-t-Butylphenoxy)-1-methylethyl 2'-chloroethyl sulphite
• 2-(p-t-Butylphenoxy)-1-methylethyl 2-chloroethyl ester of sulphurous acid
• 2-(p-t-Butylphenoxy)-1-methylethyl sulphite of 2-chloroethanol
• 2-(p-t-Butylphenoxy)-1-methylethyl-2-chloroethyl sulfite
• 2-(p-t-Butylphenoxy)isopropyl 2'-chloroethyl sulphite
• 2-(p-t-butylphenoxy)isopropyl 2'-chloroethyl sulfite
• 2-(p-terc.Butylfenoxy)isopropyl-2'-chlorethylester kyseliny siricite
• 2-(p-tert-Butylphenoxy)-1-methylethyl 2'-chloroethyl sulfite
• 2-(p-tert-Butylphenoxy)-1-methylethyl 2-chloroethyl ester of sulfurous acid
• 2-(p-tert-Butylphenoxy)-1-methylethyl 2-chloroethyl sulfite
• 2-(p-tert-Butylphenoxy)-1-methylethyl sulfite of 2-chloroethanol
• 2-(p-tert-Butylphenoxy)-1-methylethyl-2-choroethyl sulfite
• 2-(p-tert-Butylphenoxy)isopropyl 2-chloroethyl sulfite
• 2-(p-tert-Buytlphenoxy)isopropyl 2-chloroethyl sulfite
• 2-Chloroethyl 1-methyl-2-(p-t-butylphenoxy)ethyl sulphate
• 2-Chloroethyl 1-methyl-2-(p-tert-butylphenoxy)ethyl sulfite
• 2-Chloroethyl sulfite of 1-(p-t-butylphenoxy)-2-propanol
• 2-Chloroethyl sulphite of 1-(p-t-butylphenoxy)-2-propanol
• 2-Propanol, 1-(p-t-butylphenoxy)-, 2-chloroethyl sulfite
• 2-Propanol, 1-(p-tert-butylphenoxy)-, 2-chloroethyl sulfite
• 88R
• Acaracide
• Acrylsaeureaethylester
• Aracide
• Aramit
• Aramite-15W
• Aramiteararamite-15W
• Aratron
• Butylphenoxyisopropyl chloroethyl sulfite
• CES
• Compound 88R
• ENT 16,519
• Ethanol, 2-chloro-, 2-(p-t-butylphenoxy)-1-methylethyl sulfite
• Ethanol, 2-chloro-, 2-(p-tert-butylphenoxy)-1-methylethyl sulfite
• Ethanol, 2-chloro-, ester with 2-(p-tert-butylphenoxy)-1-methylethyl sulfite
• Niagaramite
• Ortho-Mite
• Sulfurous acid, 2-(p-t-butylphenoxy)-1-methylethyl-2-chloroethyl ester
• Sulfurous acid, 2-(p-tert-butylphenoxy)-1-methylethyl 2-chloroethyl ester
• Sulfurous acid, 2-chloroethyl 2-[4-(1,1-dimethylethyl)phenoxy]-1-methylethyl ester
• «beta»-Chloroethyl-«beta»'-(p-t-butylphenoxy)-«alpha»'-methylethyl sulfite
• «beta»-Chloroethyl-«beta»'-(p-tert-butylphenoxy)-«alpha»'-methylethyl sulfite

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.84	kJ/mol	Joback Calculated Property
logPoct/wat	3.602		Crippen Calculated Property
McVol	250.520	ml/mol	McGowan Calculated Property
Inp	[363.69; 364.71]
Inp	363.69		NIST
Inp	364.71		NIST
Inp	363.69		NIST
Tfus	241.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.08; 785.31]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.93030e+01
Coefficient B			1.25337e+00
Coefficient C			-5.65860e-04
Coefficient D			3.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.08	J/mol×K	273.00	Calculated Property
Cp,gas	433.60	J/mol×K	353.78	Calculated Property
Cp,gas	500.27	J/mol×K	434.56	Calculated Property
Cp,gas	560.20	J/mol×K	515.33	Calculated Property
Cp,gas	613.53	J/mol×K	596.11	Calculated Property
Cp,gas	660.37	J/mol×K	676.89	Calculated Property
Cp,gas	700.85	J/mol×K	757.67	Calculated Property
Cp,gas	735.08	J/mol×K	838.44	Calculated Property
Cp,gas	763.20	J/mol×K	919.22	Calculated Property
Cp,gas	785.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Aramite.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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