Chemical Properties of Sethoxydim (CAS 74051-80-2)

InChI

InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,17H,5-11H2,1-4H3

InChI Key

NMHGOXYVOKDNHF-UHFFFAOYSA-N

Formula

C17H29NO3S

SMILES

CCCC(=NOCC)C1C(=O)CC(CC(C)SCC)CC1=O

Molecular Weight¹

327.48

CAS

74051-80-2

Other Names

• 2-[1-(ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-one

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-658.83	kJ/mol	Joback Calculated Property
ΔvapH°	74.28	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.875		Crippen Calculated Property
McVol	270.570	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[2388.00; 2388.00]
Inp	2388.00		NIST
Inp	2388.00		NIST
Tboil	906.20	K	Joback Calculated Property
Tc	1140.06	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sethoxydim.

Sources

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

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